data_2ctt_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 2ctt _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 ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.317 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.461 ' CB ' HG21 ' A' ' 80' ' ' ILE . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' CD ' HG13 ' A' ' 85' ' ' VAL . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.473 ' HE2' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.425 ' CG2' HG23 ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.473 ' N ' ' HE2' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.432 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ASN . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG13 ' CD ' ' A' ' 40' ' ' GLU . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CD ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 40' ' ' GLU . 1.2 p-10 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 46' ' ' GLN . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 58' ' ' THR . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.438 ' N ' HG23 ' A' ' 65' ' ' VAL . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 HG21 ' CB ' ' A' ' 39' ' ' ASN . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' CD ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.445 HG21 ' CG1' ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.453 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 mttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' CB ' HG21 ' A' ' 80' ' ' ILE . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 42' ' ' GLY . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' HG22 ' A' ' 45' ' ' VAL . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 44' ' ' LYS . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.55 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 HG21 ' CB ' ' A' ' 39' ' ' ASN . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.489 ' CG2' ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 44' ' ' LYS . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.443 ' N ' HG11 ' A' ' 45' ' ' VAL . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' THR . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 HG23 ' CG2' ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 66' ' ' MET . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 65' ' ' VAL . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.426 ' N ' HG13 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' CB ' HG22 ' A' ' 80' ' ' ILE . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 45' ' ' VAL . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' CE1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 HG22 ' CB ' ' A' ' 39' ' ' ASN . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.418 ' C ' HG23 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.4 ' HE1' ' C ' ' A' ' 93' ' ' ALA . 7.7 mmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 42' ' ' GLY . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.433 ' CE ' ' N ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' N ' ' CE ' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' C ' ' HE1' ' A' ' 28' ' ' MET . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.42 ' HE3' ' N ' ' A' ' 94' ' ' LYS . 23.9 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 46' ' ' GLN . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.433 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.1 t-160 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' CG2' HG22 ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' NH1' ' CG2' ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' N ' ' HE3' ' A' ' 28' ' ' MET . 29.0 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.437 ' HE1' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 HD11 ' N ' ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' HE1' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.558 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.449 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 92' ' ' GLN . 2.3 ptm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.745 0.307 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 46' ' ' GLN . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' N ' HG11 ' A' ' 45' ' ' VAL . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 59' ' ' ILE . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 58' ' ' THR . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 70' ' ' CYS . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 69' ' ' THR . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 84' ' ' CYS . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.444 ' CB ' HG21 ' A' ' 80' ' ' ILE . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 3.7 t-160 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 66' ' ' MET . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' VAL . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 HG21 ' CB ' ' A' ' 39' ' ' ASN . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.442 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.402 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.745 0.307 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CZ ' HG23 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.488 ' OD1' ' CG2' ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' A' ' 42' ' ' GLY . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.444 ' CA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.439 ' CG2' HG23 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 70' ' ' CYS . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 69' ' ' THR . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' NH1' HD13 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CG2' ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 HG23 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 27.6 mttp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.462 ' CB ' HG23 ' A' ' 80' ' ' ILE . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.47 HG22 ' CG2' ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.461 ' N ' HG21 ' A' ' 65' ' ' VAL . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.404 ' NH1' HG21 ' A' ' 58' ' ' THR . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 70' ' ' CYS . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.451 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.447 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 ' N ' HD11 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 39' ' ' ASN . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.318 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.442 ' CB ' HG21 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 42' ' ' GLY . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.483 ' N ' HG21 ' A' ' 45' ' ' VAL . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 66' ' ' MET . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.443 ' N ' HG11 ' A' ' 65' ' ' VAL . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CD ' HD11 ' A' ' 80' ' ' ILE . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' CD ' ' A' ' 76' ' ' ARG . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' CB ' HG21 ' A' ' 80' ' ' ILE . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.411 ' CG2' HG13 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 59' ' ' ILE . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 66' ' ' MET . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.453 ' N ' HG11 ' A' ' 65' ' ' VAL . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.465 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' A' ' 39' ' ' ASN . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.44 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 31' ' ' CYS . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 42' ' ' GLY . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 46' ' ' GLN . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 45' ' ' VAL . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 59' ' ' ILE . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD1' ' HE1' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.425 ' N ' ' HE2' ' A' ' 56' ' ' MET . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.52 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.412 ' HB3' HG22 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.471 ' CB ' HG23 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' GLY . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' HIS . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CD1' ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.482 ' N ' ' HE3' ' A' ' 56' ' ' MET . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 73' ' ' CYS . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 70' ' ' CYS . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.326 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.435 ' CB ' HG23 ' A' ' 80' ' ' ILE . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 44' ' ' LYS . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 59' ' ' ILE . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 66' ' ' MET . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 65' ' ' VAL . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.483 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.529 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.447 ' CB ' HG22 ' A' ' 80' ' ' ILE . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 46' ' ' GLN . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 58' ' ' THR . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.729 ' N ' ' SD ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 70' ' ' CYS . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 69' ' ' THR . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.447 HG22 ' CB ' ' A' ' 39' ' ' ASN . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.411 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 86' ' ' VAL . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CB ' HG23 ' A' ' 86' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 46' ' ' GLN . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.465 ' N ' HG12 ' A' ' 45' ' ' VAL . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG23 ' CB ' ' A' ' 33' ' ' ARG . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.53 134.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -168.74 170.67 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 67.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -106.1 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -130.96 163.77 26.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 -43.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mmt 58.91 39.74 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.29 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' CG ' HD11 ' A' ' 10' ' ' LEU . 1.4 tp10 -69.55 -66.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD11 ' CG ' ' A' ' 9' ' ' GLU . 4.6 mp -122.83 170.47 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 m -121.07 109.74 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.04 35.85 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.55 -57.7 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -112.81 170.26 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 175.92 10.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.07 172.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -42.89 17.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.37 -60.27 9.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.14 84.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.09 134.17 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -74.07 132.99 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.24 43.11 8.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.48 -58.25 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -167.74 119.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -51.12 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -44.34 135.89 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.5 mt -109.35 128.02 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -128.19 118.2 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.461 ' CB ' HG21 ' A' ' 80' ' ' ILE . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' CD ' HG13 ' A' ' 85' ' ' VAL . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.473 ' HE2' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.425 ' CG2' HG23 ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.473 ' N ' ' HE2' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.432 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 HG21 ' CB ' ' A' ' 39' ' ' ASN . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG13 ' CD ' ' A' ' 40' ' ' GLU . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -84.51 113.72 21.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -115.0 92.19 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -43.23 106.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -128.77 150.35 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -101.88 -54.53 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.9 p -94.09 -60.77 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 74.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.08 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -43.82 -61.04 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.7 t -75.66 101.49 5.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.19 174.04 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -173.51 176.89 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 150.93 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.41 156.15 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -173.91 159.38 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 -175.36 16.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtt -161.9 143.63 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -128.71 166.37 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.3 mt -149.15 145.32 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -166.23 164.08 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 12' ' ' PHE . 19.1 p90 -132.01 78.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.41 124.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -170.38 135.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.23 115.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.29 124.48 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -137.31 107.01 6.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.13 -162.89 31.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.97 144.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -113.02 115.45 28.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -151.44 138.01 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.8 71.2 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -60.46 142.89 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -89.26 166.37 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.4 p -82.37 42.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -135.01 84.09 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.8 mt -76.69 115.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt -134.41 107.64 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' CD ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 40' ' ' GLU . 1.2 p-10 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 46' ' ' GLN . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.478 ' N ' HG12 ' A' ' 45' ' ' VAL . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.534 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 58' ' ' THR . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.438 ' N ' HG23 ' A' ' 65' ' ' VAL . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 HG21 ' CB ' ' A' ' 39' ' ' ASN . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' CD ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -95.08 86.74 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -105.77 94.21 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 9.0 ptpt -91.21 75.9 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 98' ' ' ARG . 17.8 ttpp -129.14 133.42 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LYS . 36.3 ttt180 33.94 44.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -46.57 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.58 -169.01 37.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -114.45 -61.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 p -113.35 166.14 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.14 169.46 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -162.22 163.41 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.78 156.41 26.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -156.8 160.26 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -163.34 147.62 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.59 163.07 30.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -144.67 176.03 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -152.87 156.67 39.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -144.24 173.94 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 p -147.65 176.18 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -154.64 148.73 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -129.92 169.68 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -136.97 162.7 32.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.39 177.35 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.92 115.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -168.1 136.23 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.85 175.29 29.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.82 145.39 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -137.23 123.26 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -174.94 113.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 23' ' ' PHE . 13.2 pt-20 -126.59 -51.42 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 22' ' ' GLU . 17.2 p90 -174.9 177.36 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 p -90.3 122.39 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 26' ' ' ASN . 14.9 p -150.46 163.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' N ' HG22 ' A' ' 25' ' ' VAL . 12.1 m-80 -64.5 91.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.441 ' CG2' ' O ' ' A' ' 95' ' ' GLN . 7.9 mt -142.44 121.76 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm -144.16 105.08 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' HA ' ' OE1' ' A' ' 95' ' ' GLN . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.445 HG21 ' CG1' ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.453 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -74.01 74.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -103.96 127.16 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 95' ' ' GLN . 1.5 pmtp? -42.38 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -77.37 115.17 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -108.04 -49.02 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.6 m -154.57 107.98 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.07 -75.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.48 8.55 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -121.66 138.24 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 m 61.45 54.86 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.48 151.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.395 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 68.28 42.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 154.82 39.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -172.12 177.09 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -125.84 177.87 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.12 -158.82 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttp -150.77 177.95 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.39 176.5 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.83 176.87 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -147.35 152.62 38.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.45 172.32 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.14 176.99 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -126.4 178.49 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.74 168.08 20.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.85 173.98 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.87 147.19 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.63 157.57 27.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.63 149.5 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -159.25 140.61 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -144.62 155.26 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -169.2 156.26 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.57 84.35 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.1 p -136.71 127.9 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 p -74.43 -28.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.84 150.87 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.36 98.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt -143.1 122.47 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' CB ' HG21 ' A' ' 80' ' ' ILE . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 42' ' ' GLY . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' HG22 ' A' ' 45' ' ' VAL . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 44' ' ' LYS . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.55 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 HG21 ' CB ' ' A' ' 39' ' ' ASN . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.489 ' CG2' ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 88.6 mttt -74.87 110.16 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -109.89 89.87 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -42.62 144.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -82.41 127.98 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -50.95 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -52.95 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.61 139.23 5.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.47 62.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -69.62 83.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -167.17 163.96 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.4 164.51 32.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -152.71 140.81 20.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 -155.02 22.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.16 163.2 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -147.19 176.65 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 -179.06 24.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -173.38 170.72 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 10' ' ' LEU . 10.3 tm-20 -174.84 147.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' N ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -171.64 130.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 m -162.74 149.51 12.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -173.32 143.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -168.58 120.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -145.04 175.98 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.03 122.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.73 161.68 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -126.98 110.42 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 92.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.69 164.77 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.81 -44.14 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -47.25 169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.42 154.27 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.5 m-85 -129.81 173.96 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' PHE . 40.6 p -35.27 132.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.7 p -36.37 139.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ILE . 95.5 m-20 -112.37 170.8 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 26' ' ' ASN . 5.1 mp -33.85 132.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm -129.13 116.1 18.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 44' ' ' LYS . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.443 ' N ' HG11 ' A' ' 45' ' ' VAL . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' THR . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 HG23 ' CG2' ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 66' ' ' MET . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 65' ' ' VAL . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.426 ' N ' HG13 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -90.63 104.3 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.61 83.74 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -58.45 -59.89 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.24 97.24 11.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.23 -33.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -169.09 113.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.69 83.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.6 p -155.01 173.5 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.2 p -74.01 143.41 45.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.04 177.11 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -163.01 175.06 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 -171.72 29.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -167.69 171.78 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -154.52 178.58 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 177.02 20.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -27.3 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.06 50.85 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.13 178.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.3 p -121.94 170.21 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -166.15 142.49 5.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -118.24 160.94 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.7 95.73 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.72 159.82 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 44.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -154.59 149.4 26.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.0 123.61 7.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.17 37.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -51.22 -52.25 46.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -43.71 153.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -61.32 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 22' ' ' GLU . 37.2 m-85 -36.89 132.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -99.17 152.78 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 26' ' ' ASN . 30.7 m -78.38 -34.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 25' ' ' VAL . 49.4 t30 -76.82 53.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -128.3 95.33 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp -144.64 115.03 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' CB ' HG22 ' A' ' 80' ' ' ILE . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 45' ' ' VAL . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.467 HG23 ' CE1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.571 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 HG22 ' CB ' ' A' ' 39' ' ' ASN . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.418 ' C ' HG23 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.561 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 29.4 ttmt -72.31 82.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.561 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -117.3 118.12 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' GLN . 1.2 ttmp? -34.85 112.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -75.82 145.51 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -175.02 119.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t 52.4 42.22 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -112.68 110.12 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 176.32 6.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 t -158.99 135.51 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t -174.88 177.27 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.527 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -159.0 174.87 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -163.73 173.12 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.33 -178.22 25.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -174.69 170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -155.08 177.26 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.39 -175.0 31.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -157.22 157.26 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -113.82 161.34 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.48 172.21 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -118.12 175.19 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -171.9 140.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 14' ' ' GLN . 13.1 t-20 -173.72 162.49 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 2.2 tt0 -56.46 160.48 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.91 111.47 23.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.54 145.35 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 39.06 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.88 -175.4 14.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 20' ' ' ASN . 60.9 t -97.4 136.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' N ' HG11 ' A' ' 19' ' ' VAL . 1.4 t30 -50.9 136.13 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -97.12 141.71 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.23 118.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -89.9 51.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' VAL . 80.5 p -135.94 119.95 17.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG11 ' N ' ' A' ' 26' ' ' ASN . 85.1 t -33.7 139.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' N ' HG11 ' A' ' 25' ' ' VAL . 2.7 p-10 -108.48 162.48 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.2 mm -77.37 122.16 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.4 ' HE1' ' C ' ' A' ' 93' ' ' ALA . 7.7 mmt -144.21 111.89 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 42' ' ' GLY . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.433 ' CE ' ' N ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' N ' ' CE ' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.567 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HA ' ' NH1' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' C ' ' HE1' ' A' ' 28' ' ' MET . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 35.4 mtpt -67.6 118.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -108.14 106.84 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? 60.55 51.57 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -91.29 135.98 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -128.25 60.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -83.72 -68.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.36 139.1 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 t -91.05 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 p -119.54 110.65 17.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -152.46 171.48 18.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -144.41 139.47 28.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 170.77 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -159.31 141.76 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -110.56 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.67 156.77 14.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.19 174.73 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -173.28 174.43 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -153.18 128.09 9.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -131.47 126.1 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -84.34 -57.41 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 46.44 44.63 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.98 105.54 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 109.58 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 110.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -171.55 156.14 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.02 -124.87 3.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 13.2 m -92.48 115.87 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 19' ' ' VAL . 27.7 m120 -162.2 162.59 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.27 30.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -166.57 142.61 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -117.43 167.46 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.9 m -87.89 84.9 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.87 -176.14 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -87.27 90.79 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.2 mp -89.87 116.92 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.42 ' HE3' ' N ' ' A' ' 94' ' ' LYS . 23.9 mmt -135.25 103.56 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 46' ' ' GLN . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.1 t-160 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.438 HG22 ' CG2' ' A' ' 65' ' ' VAL . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' CG2' HG22 ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' NH1' ' CG2' ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 29.0 pttt -74.9 111.05 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.518 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 3.4 mm-40 -105.11 171.48 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -101.0 46.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -113.4 147.3 38.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -97.23 99.02 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.67 177.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.08 158.19 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -24.74 29.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t -67.04 85.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -122.19 -58.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -143.26 155.8 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -125.96 -58.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.22 145.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -172.44 175.1 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -141.21 175.14 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.52 -169.36 17.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -128.62 151.25 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.09 174.23 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.12 174.06 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.6 p -112.14 151.4 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -166.13 152.14 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -143.16 151.06 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -157.69 176.39 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.11 170.96 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 79.67 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -123.14 158.26 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.96 118.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.83 169.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -110.57 152.39 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -133.81 81.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -85.29 170.56 12.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -70.5 -60.06 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -96.64 89.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 p -174.79 153.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -156.56 149.98 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -48.25 110.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt -135.06 109.51 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.558 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.437 ' HE1' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 HD11 ' N ' ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' HE1' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.558 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.449 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 21.6 ttmm -75.31 105.01 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -114.18 91.78 3.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -38.39 -47.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.07 138.79 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -96.35 125.81 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -125.97 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.3 131.13 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.76 2.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -50.04 136.11 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.6 p -89.09 163.15 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.467 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -159.58 122.18 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -71.06 -52.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -176.32 27.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -156.99 171.35 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -158.35 176.41 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 -171.35 24.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -148.96 157.47 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -149.62 120.1 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.78 -46.98 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p 42.89 50.33 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -38.38 146.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -144.03 166.37 25.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -134.17 119.63 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.89 103.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.84 118.2 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.67 121.34 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.06 82.26 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.1 m -133.35 125.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -114.54 -44.9 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.6 133.5 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -130.83 -65.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -73.43 173.68 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -101.31 81.79 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 26' ' ' ASN . 30.0 m -130.27 -42.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 25' ' ' VAL . 39.9 m-80 -67.92 147.32 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 28' ' ' MET . 10.8 mm -49.57 142.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.471 ' N ' HG21 ' A' ' 27' ' ' ILE . 2.3 ptm -127.2 120.49 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 46' ' ' GLN . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' N ' HG11 ' A' ' 45' ' ' VAL . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 59' ' ' ILE . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 58' ' ' THR . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.465 HG21 ' N ' ' A' ' 70' ' ' CYS . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 69' ' ' THR . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 84' ' ' CYS . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.505 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 99.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.4 mp0 -92.31 -79.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -177.66 154.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -79.95 121.67 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -95.52 98.0 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -71.62 122.89 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.89 -119.57 3.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -75.36 103.85 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.9 t -153.93 153.77 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -171.18 174.68 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -155.14 175.8 13.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.24 -161.3 8.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -153.82 177.36 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -141.83 161.56 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.87 -166.61 12.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 mtt -145.06 174.7 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.69 148.0 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.9 146.63 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -158.35 145.27 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -92.83 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -101.97 177.45 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -130.1 168.62 16.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.35 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -107.59 -59.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' ALA . 33.0 pttt 34.57 40.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.48 68.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.77 137.32 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -155.77 135.87 12.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -128.92 178.43 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -154.6 118.71 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -122.82 157.3 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -61.88 83.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 26' ' ' ASN . 54.9 t -131.79 141.66 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' N ' HG12 ' A' ' 25' ' ' VAL . 20.4 m-80 -42.41 104.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' HB ' ' CG ' ' A' ' 97' ' ' LYS . 9.1 mt -81.51 110.89 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt -136.71 109.49 7.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.444 ' CB ' HG21 ' A' ' 80' ' ' ILE . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 3.7 t-160 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.552 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 66' ' ' MET . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' VAL . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 HG21 ' CB ' ' A' ' 39' ' ' ASN . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.442 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.03 108.15 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -89.63 85.76 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 96' ' ' LYS . 3.5 ttpm? 72.9 52.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' CG ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.69 103.0 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -123.02 47.0 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t -117.49 162.02 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.08 168.14 15.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 152.01 69.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -85.96 148.36 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 168.6 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.15 131.34 40.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -136.04 145.79 46.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 154.63 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.66 164.21 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -163.89 165.09 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.07 -161.12 34.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 ttp -169.07 163.57 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -58.33 134.07 56.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -126.19 -63.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.3 p -140.32 164.47 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -102.31 159.27 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -92.95 162.6 14.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.91 145.48 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.18 170.08 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.91 152.94 41.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -100.33 97.78 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.7 151.8 28.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 ' CG2' ' HG2' ' A' ' 21' ' ' LYS . 8.2 p -68.73 -15.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 46.33 46.39 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 42.5 pttt -177.22 145.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.404 ' HG3' ' C ' ' A' ' 21' ' ' LYS . 47.7 mt-10 -157.6 146.59 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -154.43 126.47 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -134.72 132.09 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -170.18 128.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.43 38.26 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.42 123.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.402 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt -139.11 105.8 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' CZ ' HG23 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' OD1' ' CG2' ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' C ' ' H ' ' A' ' 42' ' ' GLY . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.444 ' CA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.439 ' CG2' HG23 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG23 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 70' ' ' CYS . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 69' ' ' THR . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' NH1' HD13 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.488 ' CG2' ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' OD1' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 HG23 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 27.6 mttp -78.35 108.05 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.569 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -113.92 88.79 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.76 68.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -131.11 147.18 52.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -81.54 55.85 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -132.85 147.07 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.16 149.52 51.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.83 26.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 t -121.79 145.32 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.447 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -111.06 173.02 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -170.86 171.06 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -159.34 8.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -159.07 175.68 13.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -173.07 172.36 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 163.9 30.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptm -170.03 176.97 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -168.96 149.77 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -167.37 164.57 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -151.63 134.63 15.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -166.73 158.74 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -130.91 172.17 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -148.12 161.89 40.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.7 162.64 12.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.53 89.49 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -92.03 175.01 7.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.9 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.4 p -104.51 155.45 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -91.43 133.48 35.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -140.38 168.17 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 23' ' ' PHE . 8.2 pt-20 -66.03 -35.89 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 12.8 m-85 -52.27 154.5 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 t -114.24 124.07 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.03 124.11 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -83.19 46.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 28' ' ' MET . 37.5 mt -129.28 139.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.427 ' N ' HG21 ' A' ' 27' ' ' ILE . 9.6 mmt -143.09 111.18 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' CB ' HG23 ' A' ' 80' ' ' ILE . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.47 HG22 ' CG2' ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.461 ' N ' HG21 ' A' ' 65' ' ' VAL . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.404 ' NH1' HG21 ' A' ' 58' ' ' THR . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 70' ' ' CYS . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.451 ' N ' HG22 ' A' ' 69' ' ' THR . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.447 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 ' N ' HD11 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 39' ' ' ASN . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -90.21 110.93 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.549 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -115.34 92.27 3.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -48.23 -43.88 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.8 141.61 28.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 70.76 41.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.5 p -115.18 82.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.87 111.85 3.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 82.73 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.322 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -76.67 -42.78 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m 56.43 50.67 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -155.4 173.94 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.49 175.32 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.21 135.25 3.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -173.02 168.67 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -167.78 163.45 14.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 -170.06 36.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -165.13 151.57 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -150.12 171.25 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pp -152.66 167.37 29.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 t -56.62 154.8 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.8 163.44 23.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -165.24 153.53 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.71 142.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.57 138.66 53.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 127.6 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -149.17 176.18 10.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.13 166.68 37.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.8 t -143.92 151.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -64.62 175.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -128.0 -42.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' LYS . 17.7 mt-10 -34.3 137.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -145.08 178.58 7.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.7 m -128.71 139.7 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG21 ' N ' ' A' ' 26' ' ' ASN . 32.0 m -46.12 -33.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' N ' HG21 ' A' ' 25' ' ' VAL . 25.6 m120 -97.32 175.72 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 97' ' ' LYS . 15.5 mt -80.67 108.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -136.85 110.59 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' CB ' HG21 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 42' ' ' GLY . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.483 ' N ' HG21 ' A' ' 45' ' ' VAL . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 66' ' ' MET . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.443 ' N ' HG11 ' A' ' 65' ' ' VAL . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' CD ' HD11 ' A' ' 80' ' ' ILE . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD11 ' CD ' ' A' ' 76' ' ' ARG . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 77.87 7.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -44.67 148.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' GLN . 5.5 mtpm? -33.31 122.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -97.75 151.02 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -97.87 -41.87 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.5 p -151.71 155.29 38.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.03 120.33 3.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.84 54.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.62 2.213 . . . . 0.0 112.317 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.7 p -157.98 133.1 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.6 p -101.5 -49.8 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -145.0 175.13 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -127.93 170.66 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 166.81 24.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -168.08 141.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -171.16 147.35 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.61 115.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 tpt -159.89 114.76 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' LEU . 27.1 mt-10 -132.38 -41.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.5 mm? -36.34 108.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 12.4 p -130.14 142.53 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 11' ' ' THR . 35.5 m-85 -166.45 165.72 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 62.8 m-80 -162.22 145.77 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -168.57 176.15 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.3 -179.2 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.75 175.29 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -130.14 -179.8 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.71 -159.85 33.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -140.77 174.32 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -110.73 118.33 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 7.2 tppt? -147.44 151.52 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -35.97 133.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 21' ' ' LYS . 24.6 m-85 -145.33 138.01 26.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' VAL . 25.8 m -53.55 145.14 15.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' THR . 7.4 p -33.63 128.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.26 165.71 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 mt -53.95 145.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.64 103.88 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' HB3' ' CG ' ' A' ' 95' ' ' GLN . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' CB ' HG21 ' A' ' 80' ' ' ILE . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.411 ' CG2' HG13 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 59' ' ' ILE . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 66' ' ' MET . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.453 ' N ' HG11 ' A' ' 65' ' ' VAL . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.465 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' A' ' 39' ' ' ASN . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.44 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -71.24 106.63 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 29' ' ' ASP . 2.4 mm-40 -93.87 144.39 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.67 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -82.91 121.71 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -144.24 157.4 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -66.74 125.7 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.97 122.16 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 t -125.71 170.47 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -170.78 151.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -151.81 175.55 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.3 177.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 162.23 23.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -173.67 152.37 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -173.1 162.06 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.12 135.12 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 ptm -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.02 155.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 10' ' ' LEU . 2.3 pt? -170.19 133.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 12' ' ' PHE . 93.0 m -165.63 139.11 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' N ' HG23 ' A' ' 11' ' ' THR . 7.0 p90 -156.65 146.62 21.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -170.59 128.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -109.94 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.2 141.02 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.54 -49.55 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -99.72 -46.51 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.63 68.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.32 -59.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LYS . 20.3 p-10 -134.6 48.77 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' ASN . 17.4 pttm 32.65 41.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.84 -40.76 83.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -55.07 -49.24 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 p -110.95 123.05 49.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.84 139.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -127.07 48.21 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 95' ' ' GLN . 49.0 mt -77.62 98.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -128.98 113.37 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 31' ' ' CYS . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 30' ' ' THR . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.475 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 42' ' ' GLY . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.557 HG22 ' N ' ' A' ' 46' ' ' GLN . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.557 ' N ' HG22 ' A' ' 45' ' ' VAL . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 59' ' ' ILE . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD1' ' HE1' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.425 ' N ' ' HE2' ' A' ' 56' ' ' MET . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.52 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' CD ' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.412 ' HB3' HG22 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.531 ' C ' ' NE2' ' A' ' 95' ' ' GLN . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.544 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 53.1 mttm -74.78 100.42 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -106.69 116.68 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -82.5 43.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.13 106.49 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -44.77 121.03 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.4 t -108.04 -55.36 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.8 -166.78 21.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 130.71 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -97.98 102.76 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -96.92 82.42 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -157.36 164.19 37.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -171.56 175.93 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.42 150.16 5.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -173.94 175.23 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.12 178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 151.8 21.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.83 161.05 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -173.33 171.94 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -152.6 179.77 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -130.33 174.6 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -162.74 173.55 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -159.74 172.52 17.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -154.52 143.17 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 161.55 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 144.78 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -115.07 -63.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.84 -163.06 12.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.6 p -172.72 120.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.417 HD21 ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -128.05 174.99 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' N ' HD21 ' A' ' 20' ' ' ASN . 12.1 mmmt -142.65 147.52 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -128.29 87.4 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -134.84 62.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.415 ' CG2' ' HG3' ' A' ' 28' ' ' MET . 55.5 m -122.49 152.94 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.95 -66.28 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.68 151.05 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -45.18 121.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.415 ' HG3' ' CG2' ' A' ' 24' ' ' THR . 3.5 mmt -142.61 112.75 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.471 ' CB ' HG23 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 42' ' ' GLY . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' HIS . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CD1' ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.482 ' N ' ' HE3' ' A' ' 56' ' ' MET . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.419 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.84 105.07 15.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -96.98 85.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -122.52 162.25 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.59 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -78.91 46.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.0 t -104.38 93.78 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.26 118.5 2.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.71 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -135.72 164.75 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -47.29 -52.95 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.505 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -82.64 146.36 29.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.72 174.6 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.57 145.31 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -158.38 172.93 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -158.87 149.85 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 132.34 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.0 mmm -132.55 115.13 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.13 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -124.76 133.44 53.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.3 m -97.84 -48.06 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 63.46 41.28 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -127.27 122.2 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -127.47 85.17 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 49.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.21 42.31 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -102.79 -43.94 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . 81.85 77.49 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 18' ' ' GLY . 33.0 m -34.45 124.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -117.31 42.31 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -146.78 119.41 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 21' ' ' LYS . 29.8 mt-10 -34.08 -53.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -41.65 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -96.89 172.47 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.49 145.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.26 171.99 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.34 123.55 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp -141.35 104.89 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.435 ' CB ' HG23 ' A' ' 80' ' ' ILE . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 44' ' ' LYS . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 59' ' ' ILE . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 66' ' ' MET . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 65' ' ' VAL . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.522 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.483 ' CG1' ' OE2' ' A' ' 40' ' ' GLU . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.529 ' CG2' ' SG ' ' A' ' 31' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -87.8 86.17 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.3 mp0 -79.52 -51.48 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 97' ' ' LYS . 4.6 tppp? -121.45 150.0 42.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.5 ttmm -132.76 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -118.91 137.33 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -121.06 45.88 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.0 179.59 30.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.18 4.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t -76.24 89.04 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -97.83 125.98 42.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p 40.68 49.79 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.375 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 p -75.58 -36.55 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.53 172.87 5.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -165.58 165.8 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.08 174.29 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.9 172.07 44.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.5 mtp -163.99 146.83 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -143.29 170.65 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.9 mt -147.17 170.7 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -163.95 131.46 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -150.36 149.72 30.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -172.03 171.17 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -156.96 179.6 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 153.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.92 160.94 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -160.13 -179.98 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.76 116.73 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.93 155.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -155.72 125.22 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -129.28 151.39 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -117.86 90.9 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -113.24 126.56 55.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -129.17 170.41 13.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.55 -30.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.98 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.9 135.86 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm -136.68 105.99 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.447 ' CB ' HG22 ' A' ' 80' ' ' ILE . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 46' ' ' GLN . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' HG3' ' CD1' ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 58' ' ' THR . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.729 ' N ' ' SD ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 70' ' ' CYS . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 69' ' ' THR . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.447 HG22 ' CB ' ' A' ' 39' ' ' ASN . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.411 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -90.94 103.29 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.8 mp0 -98.64 -52.21 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -114.98 164.98 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -121.68 149.15 43.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -121.07 -65.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.0 t -107.37 -62.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.3 -75.16 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.5 30.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 m -143.7 163.35 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -111.01 156.02 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -162.6 135.73 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -170.52 150.74 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.7 120.74 0.54 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -142.63 131.15 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -151.36 166.06 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.57 119.87 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ttt -163.32 164.31 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.31 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -154.8 145.12 22.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -139.53 178.37 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -146.3 164.52 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' A' ' 13' ' ' ASN . 36.4 t80 -128.72 161.8 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 60.9 t30 -143.64 172.28 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -169.76 140.8 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.11 174.46 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.73 141.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.93 163.98 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.58 55.81 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -106.72 126.71 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -174.31 178.0 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? 38.91 41.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.79 128.87 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -124.67 135.09 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -114.03 44.31 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.73 141.46 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 54.81 34.15 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 95' ' ' GLN . 21.1 mt -65.38 84.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 27' ' ' ILE . 82.8 mmm -136.18 112.52 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 86' ' ' VAL . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CB ' HG23 ' A' ' 86' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 46' ' ' GLN . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' N ' HG12 ' A' ' 45' ' ' VAL . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.46 ' SG ' HG21 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG23 ' CB ' ' A' ' 33' ' ' ARG . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB1' ' NE2' ' A' ' 95' ' ' GLN . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.512 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 15.5 mtpp -87.42 88.18 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.512 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 2.9 mm-40 -98.57 147.57 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -52.53 97.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 104.5 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.16 -52.42 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -149.94 121.2 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.58 118.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -169.89 -175.92 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -105.22 179.87 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.317 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 46' ' ' GLN . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.458 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.463 HG22 ' CG2' ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.458 ' N ' ' HE1' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.435 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 38' ' ' GLY . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.776 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' NE ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 80' ' ' ILE . 4.8 p30 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.603 HG21 ' HB3' ' A' ' 82' ' ' SER . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' PHE . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD1' HG23 ' A' ' 61' ' ' THR . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 38' ' ' GLY . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.603 ' HB3' HG21 ' A' ' 43' ' ' THR . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.492 HG22 ' NE ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.94 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.673 ' OD1' HG23 ' A' ' 80' ' ' ILE . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.705 ' HG3' HD11 ' A' ' 81' ' ' ILE . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.532 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.474 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.94 HD13 ' O ' ' A' ' 38' ' ' GLY . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.705 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.446 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 mttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.521 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 43' ' ' THR . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG21 HH21 ' A' ' 76' ' ' ARG . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.961 ' HG3' HD11 ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.61 ' NH1' HD11 ' A' ' 80' ' ' ILE . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 38' ' ' GLY . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.961 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.623 HG21 ' HB2' ' A' ' 82' ' ' SER . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 78' ' ' SER . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' HD11 ' A' ' 81' ' ' ILE . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 59' ' ' ILE . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 45' ' ' VAL . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.623 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.468 ' N ' HG12 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.96 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.499 HG21 ' CB ' ' A' ' 82' ' ' SER . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 81' ' ' ILE . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.596 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 38' ' ' GLY . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.5 ' C ' HG22 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 82' ' ' SER . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.573 ' HG3' HD11 ' A' ' 81' ' ' ILE . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.454 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.435 ' CG2' HG21 ' A' ' 65' ' ' VAL . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' THR . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 38' ' ' GLY . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.643 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 86' ' ' VAL . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 80' ' ' ILE . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 82' ' ' SER . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 81' ' ' ILE . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 78' ' ' SER . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 2.8 t60 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.87 HG23 ' NH1' ' A' ' 67' ' ' ARG . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' THR . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.87 ' NH1' HG23 ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 45' ' ' VAL . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 46' ' ' GLN . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.762 HG23 ' OD1' ' A' ' 39' ' ' ASN . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 81' ' ' ILE . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HG3' HD11 ' A' ' 81' ' ' ILE . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 64' ' ' PHE . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 61' ' ' THR . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.407 ' O ' ' HD2' ' A' ' 67' ' ' ARG . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.453 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 80' ' ' ILE . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 46' ' ' GLN . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.494 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 92' ' ' GLN . 2.3 ptm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.745 0.307 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HG21 ' A' ' 86' ' ' VAL . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.917 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.608 HG21 ' HB3' ' A' ' 82' ' ' SER . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HD11 ' A' ' 81' ' ' ILE . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.718 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.608 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.491 ' SG ' HG22 ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 33' ' ' ARG . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.705 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.873 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 2.5 t60 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 56' ' ' MET . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.41 ' H ' ' CB ' ' A' ' 51' ' ' CYS . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.405 ' CG2' HG21 ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' THR . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' ILE . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.873 HD13 ' O ' ' A' ' 38' ' ' GLY . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.518 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.745 0.307 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.665 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.613 ' OD1' HG23 ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 43' ' ' THR . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' HD11 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.613 HG23 ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.461 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.665 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 27.6 mttp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 82' ' ' SER . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.79 ' HG3' HD11 ' A' ' 81' ' ' ILE . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.406 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.483 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.406 ' C ' ' HE3' ' A' ' 56' ' ' MET . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 38' ' ' GLY . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.79 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.318 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.723 ' HB3' HD13 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HA ' HD11 ' A' ' 79' ' ' ILE . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.665 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 59' ' ' ILE . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 39' ' ' ASN . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.617 HG21 ' CB ' ' A' ' 82' ' ' SER . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HG3' HD13 ' A' ' 81' ' ' ILE . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 59' ' ' ILE . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.485 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.763 HD13 ' HG3' ' A' ' 44' ' ' LYS . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' ' 82' ' ' SER . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HG3' HD11 ' A' ' 81' ' ' ILE . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' HG23 ' A' ' 65' ' ' VAL . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HD1' ' HE2' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.531 HG21 ' CG2' ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.405 ' HE2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.544 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HD3' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.549 HD11 ' HD3' ' A' ' 76' ' ' ARG . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.547 ' CB ' HG21 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.439 HG22 ' OE2' ' A' ' 40' ' ' GLU . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB3' HD13 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.79 HG21 ' CB ' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.552 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.943 HD11 ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.943 ' OG ' HD11 ' A' ' 59' ' ' ILE . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.79 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.326 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.677 ' CD ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.843 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 82' ' ' SER . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 HG21 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.677 HG22 ' CD ' ' A' ' 33' ' ' ARG . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 84' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 86' ' ' VAL . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.902 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.604 HG21 ' CB ' ' A' ' 82' ' ' SER . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG3' HD13 ' A' ' 81' ' ' ILE . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.927 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.729 ' SD ' ' N ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.59 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 38' ' ' GLY . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.927 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.604 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HD3' HG22 ' A' ' 85' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 82' ' ' SER . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 78' ' ' SER . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.765 ' HG3' HD11 ' A' ' 81' ' ' ILE . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' HG21 ' A' ' 65' ' ' VAL . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 58' ' ' THR . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 45' ' ' VAL . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 38' ' ' GLY . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.424 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.68 HG22 ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 84' ' ' CYS . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.53 134.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -168.74 170.67 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 67.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -106.1 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -130.96 163.77 26.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 -43.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mmt 58.91 39.74 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.29 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CG ' HD12 ' A' ' 10' ' ' LEU . 1.4 tp10 -69.55 -66.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 9' ' ' GLU . 4.6 mp -122.83 170.47 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 HG22 ' OD1' ' A' ' 13' ' ' ASN . 25.3 m -121.07 109.74 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.04 35.85 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 11' ' ' THR . 0.6 OUTLIER -83.55 -57.7 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -112.81 170.26 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 175.92 10.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.07 172.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -42.89 17.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.37 -60.27 9.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.14 84.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -67.09 134.17 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -74.07 132.99 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.24 43.11 8.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.48 -58.25 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -167.74 119.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -51.12 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -44.34 135.89 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.5 mt -109.35 128.02 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -128.19 118.2 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 46' ' ' GLN . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.458 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.463 HG22 ' CG2' ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.458 ' N ' ' HE1' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 38' ' ' GLY . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.776 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.51 113.72 21.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.0 92.19 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -43.23 106.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -128.77 150.35 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -101.88 -54.53 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.9 p -94.09 -60.77 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 74.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.08 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -43.82 -61.04 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.7 t -75.66 101.49 5.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.19 174.04 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -173.51 176.89 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 150.93 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.41 156.15 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -173.91 159.38 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 -175.36 16.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtt -161.9 143.63 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -128.71 166.37 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.3 mt -149.15 145.32 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -166.23 164.08 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 19.1 p90 -132.01 78.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.41 124.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -170.38 135.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.23 115.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.29 124.48 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -137.31 107.01 6.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.13 -162.89 31.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.97 144.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -113.02 115.45 28.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -151.44 138.01 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.8 71.2 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -60.46 142.89 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -89.26 166.37 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 25' ' ' VAL . 9.4 p -82.37 42.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -135.01 84.09 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 96' ' ' LYS . 10.8 mt -76.69 115.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt -134.41 107.64 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' NE ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 80' ' ' ILE . 4.8 p30 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.603 HG21 ' HB3' ' A' ' 82' ' ' SER . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' PHE . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD1' HG23 ' A' ' 61' ' ' THR . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 38' ' ' GLY . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.603 ' HB3' HG21 ' A' ' 43' ' ' THR . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.492 HG22 ' NE ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 86.74 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.412 ' OE1' ' N ' ' A' ' 95' ' ' GLN . 0.4 OUTLIER -105.77 94.21 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 27' ' ' ILE . 9.0 ptpt -91.21 75.9 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 98' ' ' ARG . 17.8 ttpp -129.14 133.42 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LYS . 36.3 ttt180 33.94 44.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -46.57 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.58 -169.01 37.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -114.45 -61.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 p -113.35 166.14 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.14 169.46 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -162.22 163.41 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.78 156.41 26.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -156.8 160.26 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -163.34 147.62 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.59 163.07 30.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -144.67 176.03 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -152.87 156.67 39.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -144.24 173.94 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 p -147.65 176.18 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -154.64 148.73 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -129.92 169.68 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -136.97 162.7 32.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.39 177.35 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.92 115.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -168.1 136.23 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.85 175.29 29.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.82 145.39 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.23 123.26 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -174.94 113.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 23' ' ' PHE . 13.2 pt-20 -126.59 -51.42 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 22' ' ' GLU . 17.2 p90 -174.9 177.36 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 p -90.3 122.39 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG22 ' N ' ' A' ' 26' ' ' ASN . 14.9 p -150.46 163.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' N ' HG22 ' A' ' 25' ' ' VAL . 12.1 m-80 -64.5 91.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG13 HG13 ' A' ' 25' ' ' VAL . 7.9 mt -142.44 121.76 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm -144.16 105.08 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' OE1' ' A' ' 95' ' ' GLN . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.94 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.673 ' OD1' HG23 ' A' ' 80' ' ' ILE . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.705 ' HG3' HD11 ' A' ' 81' ' ' ILE . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.532 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.474 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.94 HD13 ' O ' ' A' ' 38' ' ' GLY . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.705 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.446 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' C ' HE21 ' A' ' 95' ' ' GLN . 24.0 mttm -74.01 74.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -103.96 127.16 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.5 pmtp? -42.38 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -77.37 115.17 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -108.04 -49.02 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.6 m -154.57 107.98 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.07 -75.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.48 8.55 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -121.66 138.24 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 m 61.45 54.86 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.48 151.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.395 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 68.28 42.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 154.82 39.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -172.12 177.09 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -125.84 177.87 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.12 -158.82 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttp -150.77 177.95 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.39 176.5 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.83 176.87 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -147.35 152.62 38.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.45 172.32 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.14 176.99 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -126.4 178.49 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.74 168.08 20.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.85 173.98 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.87 147.19 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.63 157.57 27.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.63 149.5 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -159.25 140.61 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -144.62 155.26 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -169.2 156.26 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.57 84.35 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.1 p -136.71 127.9 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 p -74.43 -28.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.84 150.87 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.36 98.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt -143.1 122.47 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.521 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 43' ' ' THR . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG21 HH21 ' A' ' 76' ' ' ARG . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.961 ' HG3' HD11 ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.61 ' NH1' HD11 ' A' ' 80' ' ' ILE . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 38' ' ' GLY . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.961 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -74.87 110.16 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.89 89.87 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -42.62 144.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -82.41 127.98 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -50.95 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -52.95 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.61 139.23 5.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.47 62.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -69.62 83.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -167.17 163.96 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.4 164.51 32.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -152.71 140.81 20.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 -155.02 22.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.16 163.2 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -147.19 176.65 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 -179.06 24.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -173.38 170.72 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' C ' HD23 ' A' ' 10' ' ' LEU . 10.3 tm-20 -174.84 147.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -171.64 130.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 m -162.74 149.51 12.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -173.32 143.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -168.58 120.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -145.04 175.98 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.03 122.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.73 161.68 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -126.98 110.42 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 92.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.69 164.77 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.81 -44.14 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -47.25 169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.42 154.27 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.5 m-85 -129.81 173.96 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' PHE . 40.6 p -35.27 132.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.7 p -36.37 139.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ILE . 95.5 m-20 -112.37 170.8 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.639 HD12 ' H ' ' A' ' 27' ' ' ILE . 5.1 mp -33.85 132.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm -129.13 116.1 18.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.623 HG21 ' HB2' ' A' ' 82' ' ' SER . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 78' ' ' SER . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' HD11 ' A' ' 81' ' ' ILE . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 59' ' ' ILE . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 45' ' ' VAL . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.623 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.468 ' N ' HG12 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -90.63 104.3 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -92.61 83.74 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -58.45 -59.89 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.24 97.24 11.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.23 -33.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -169.09 113.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.69 83.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.6 p -155.01 173.5 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.2 p -74.01 143.41 45.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.04 177.11 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -163.01 175.06 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 -171.72 29.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -167.69 171.78 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -154.52 178.58 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 177.02 20.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -27.3 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.06 50.85 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.13 178.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.3 p -121.94 170.21 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -166.15 142.49 5.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -118.24 160.94 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.7 95.73 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.72 159.82 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 44.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -154.59 149.4 26.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.0 123.61 7.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.17 37.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -51.22 -52.25 46.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -43.71 153.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -61.32 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 22' ' ' GLU . 37.2 m-85 -36.89 132.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -99.17 152.78 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.38 -34.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -76.82 53.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -128.3 95.33 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp -144.64 115.03 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' CD ' HE21 ' A' ' 95' ' ' GLN . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.96 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.499 HG21 ' CB ' ' A' ' 82' ' ' SER . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 81' ' ' ILE . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.596 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 38' ' ' GLY . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.5 ' C ' HG22 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' C ' ' OE1' ' A' ' 95' ' ' GLN . 29.4 ttmt -72.31 82.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.511 HE21 ' CD ' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -117.3 118.12 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' GLN . 1.2 ttmp? -34.85 112.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -75.82 145.51 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -175.02 119.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t 52.4 42.22 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 101' ' ' PRO . . . -112.68 110.12 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 100' ' ' GLY . 54.1 Cg_endo -69.73 176.32 6.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 t -158.99 135.51 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t -174.88 177.27 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.527 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -159.0 174.87 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -163.73 173.12 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.33 -178.22 25.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -174.69 170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -155.08 177.26 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.39 -175.0 31.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -157.22 157.26 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' C ' HD13 ' A' ' 10' ' ' LEU . 81.5 mm-40 -113.82 161.34 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -159.48 172.21 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -118.12 175.19 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -171.9 140.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 14' ' ' GLN . 13.1 t-20 -173.72 162.49 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 2.2 tt0 -56.46 160.48 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.91 111.47 23.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.54 145.35 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 39.06 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.88 -175.4 14.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.4 136.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 1.4 t30 -50.9 136.13 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -97.12 141.71 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.23 118.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -89.9 51.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' VAL . 80.5 p -135.94 119.95 17.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 24' ' ' THR . 85.1 t -33.7 139.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -108.48 162.48 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG21 ' O ' ' A' ' 95' ' ' GLN . 48.2 mm -77.37 122.16 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.7 mmt -144.21 111.89 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' CB ' HE21 ' A' ' 95' ' ' GLN . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 82' ' ' SER . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.573 ' HG3' HD11 ' A' ' 81' ' ' ILE . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.454 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.435 ' CG2' HG21 ' A' ' 65' ' ' VAL . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' THR . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 38' ' ' GLY . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.643 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -67.6 118.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.556 ' O ' HG21 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -108.14 106.84 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? 60.55 51.57 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -91.29 135.98 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -128.25 60.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -83.72 -68.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.36 139.1 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 t -91.05 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 p -119.54 110.65 17.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -152.46 171.48 18.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -144.41 139.47 28.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 170.77 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -159.31 141.76 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -110.56 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.67 156.77 14.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.19 174.73 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -173.28 174.43 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -153.18 128.09 9.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -131.47 126.1 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -84.34 -57.41 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 46.44 44.63 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.98 105.54 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 109.58 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 110.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -171.55 156.14 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.02 -124.87 3.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 13.2 m -92.48 115.87 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 19' ' ' VAL . 27.7 m120 -162.2 162.59 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.27 30.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -166.57 142.61 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -117.43 167.46 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.9 m -87.89 84.9 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 27' ' ' ILE . 16.4 m -121.87 -176.14 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -87.27 90.79 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 95' ' ' GLN . 5.2 mp -89.87 116.92 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.9 mmt -135.25 103.56 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 86' ' ' VAL . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 80' ' ' ILE . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 82' ' ' SER . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 81' ' ' ILE . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 78' ' ' SER . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 2.8 t60 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.87 HG23 ' NH1' ' A' ' 67' ' ' ARG . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' THR . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.87 ' NH1' HG23 ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 45' ' ' VAL . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 46' ' ' GLN . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.762 HG23 ' OD1' ' A' ' 39' ' ' ASN . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -74.9 111.05 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 27' ' ' ILE . 2.6 mm100 -105.11 171.48 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -101.0 46.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -113.4 147.3 38.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -97.23 99.02 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.67 177.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.08 158.19 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -24.74 29.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t -67.04 85.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -122.19 -58.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -143.26 155.8 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -125.96 -58.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.22 145.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -172.44 175.1 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -141.21 175.14 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.52 -169.36 17.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -128.62 151.25 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.09 174.23 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.12 174.06 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.6 p -112.14 151.4 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -166.13 152.14 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -143.16 151.06 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -157.69 176.39 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.11 170.96 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 79.67 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -123.14 158.26 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.96 118.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.83 169.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -110.57 152.39 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -133.81 81.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -85.29 170.56 12.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -70.5 -60.06 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -96.64 89.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 p -174.79 153.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -156.56 149.98 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.73 HD12 ' H ' ' A' ' 27' ' ' ILE . 5.1 mp -48.25 110.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt -135.06 109.51 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 81' ' ' ILE . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HG3' HD11 ' A' ' 81' ' ' ILE . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 64' ' ' PHE . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 61' ' ' THR . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.407 ' O ' ' HD2' ' A' ' 67' ' ' ARG . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.453 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 80' ' ' ILE . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 46' ' ' GLN . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.494 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -75.31 105.01 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.18 91.78 3.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -38.39 -47.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.07 138.79 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -96.35 125.81 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -125.97 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.3 131.13 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.76 2.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -50.04 136.11 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.6 p -89.09 163.15 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.467 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -159.58 122.18 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -71.06 -52.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -176.32 27.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -156.99 171.35 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -158.35 176.41 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 -171.35 24.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -148.96 157.47 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -149.62 120.1 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.78 -46.98 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p 42.89 50.33 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -38.38 146.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -144.03 166.37 25.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -134.17 119.63 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.89 103.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.84 118.2 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.67 121.34 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.06 82.26 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' VAL . 33.1 m -133.35 125.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -114.54 -44.9 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.6 133.5 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -130.83 -65.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -73.43 173.68 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -101.31 81.79 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 26' ' ' ASN . 30.0 m -130.27 -42.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . 39.9 m-80 -67.92 147.32 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.8 mm -49.57 142.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 92' ' ' GLN . 2.3 ptm -127.2 120.49 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HG21 ' A' ' 86' ' ' VAL . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.917 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.608 HG21 ' HB3' ' A' ' 82' ' ' SER . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HD11 ' A' ' 81' ' ' ILE . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.718 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.608 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.491 ' SG ' HG22 ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 33' ' ' ARG . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.673 ' HB3' HE22 ' A' ' 95' ' ' GLN . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -68.34 99.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.673 HE22 ' HB3' ' A' ' 93' ' ' ALA . 13.4 mp0 -92.31 -79.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -177.66 154.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -79.95 121.67 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -95.52 98.0 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -71.62 122.89 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.89 -119.57 3.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -75.36 103.85 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.9 t -153.93 153.77 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -171.18 174.68 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -155.14 175.8 13.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.24 -161.3 8.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -153.82 177.36 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -141.83 161.56 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.87 -166.61 12.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 mtt -145.06 174.7 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.69 148.0 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.9 146.63 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -158.35 145.27 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -92.83 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -101.97 177.45 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -130.1 168.62 16.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.35 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -107.59 -59.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' ALA . 33.0 pttt 34.57 40.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.48 68.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.77 137.32 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -155.77 135.87 12.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -128.92 178.43 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -154.6 118.71 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -122.82 157.3 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -61.88 83.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.79 141.66 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -42.41 104.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 97' ' ' LYS . 9.1 mt -81.51 110.89 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt -136.71 109.49 7.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.464 ' HG3' HE21 ' A' ' 95' ' ' GLN . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.705 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.873 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 2.5 t60 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 56' ' ' MET . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.41 ' H ' ' CB ' ' A' ' 51' ' ' CYS . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.405 ' CG2' HG21 ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' THR . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' ILE . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.873 HD13 ' O ' ' A' ' 38' ' ' GLY . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.518 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.03 108.15 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.464 HE21 ' HG3' ' A' ' 32' ' ' GLU . 1.4 mp0 -89.63 85.76 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 96' ' ' LYS . 3.5 ttpm? 72.9 52.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.69 103.0 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -123.02 47.0 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t -117.49 162.02 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.08 168.14 15.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 152.01 69.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -85.96 148.36 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 168.6 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.15 131.34 40.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -136.04 145.79 46.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 154.63 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.66 164.21 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -163.89 165.09 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.07 -161.12 34.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 ttp -169.07 163.57 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -58.33 134.07 56.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -126.19 -63.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.3 p -140.32 164.47 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -102.31 159.27 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -92.95 162.6 14.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.91 145.48 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.18 170.08 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.91 152.94 41.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -100.33 97.78 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.7 151.8 28.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.017 HG22 ' HG2' ' A' ' 21' ' ' LYS . 8.2 p -68.73 -15.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 46.33 46.39 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.017 ' HG2' HG22 ' A' ' 19' ' ' VAL . 42.5 pttt -177.22 145.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 21' ' ' LYS . 47.7 mt-10 -157.6 146.59 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -154.43 126.47 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -134.72 132.09 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.8 p -170.18 128.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.43 38.26 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.42 123.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt -139.11 105.8 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.665 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' OD1' HG23 ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 43' ' ' THR . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' HD11 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.613 HG23 ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.461 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.665 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 27.6 mttp -78.35 108.05 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' OE1' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -113.92 88.79 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.76 68.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -131.11 147.18 52.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -81.54 55.85 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -132.85 147.07 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.16 149.52 51.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.83 26.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 t -121.79 145.32 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.447 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -111.06 173.02 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -170.86 171.06 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -159.34 8.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -159.07 175.68 13.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -173.07 172.36 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 163.9 30.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptm -170.03 176.97 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -168.96 149.77 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -167.37 164.57 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -151.63 134.63 15.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -166.73 158.74 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -130.91 172.17 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -148.12 161.89 40.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.7 162.64 12.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.53 89.49 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -92.03 175.01 7.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.9 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' ASN . 12.4 p -104.51 155.45 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 19' ' ' VAL . 2.2 p30 -91.43 133.48 35.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -140.38 168.17 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 23' ' ' PHE . 8.2 pt-20 -66.03 -35.89 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 12.8 m-85 -52.27 154.5 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 24' ' ' THR . 9.4 t -114.24 124.07 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.03 124.11 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -83.19 46.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mt -129.28 139.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.6 mmt -143.09 111.18 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 82' ' ' SER . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.79 ' HG3' HD11 ' A' ' 81' ' ' ILE . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.406 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.483 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.406 ' C ' ' HE3' ' A' ' 56' ' ' MET . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 38' ' ' GLY . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.79 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -90.21 110.93 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.34 92.27 3.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -48.23 -43.88 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.8 141.61 28.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 70.76 41.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.5 p -115.18 82.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.87 111.85 3.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 82.73 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.322 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -76.67 -42.78 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m 56.43 50.67 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -155.4 173.94 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.49 175.32 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.21 135.25 3.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -173.02 168.67 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -167.78 163.45 14.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 -170.06 36.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -165.13 151.57 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -150.12 171.25 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 11' ' ' THR . 2.0 pp -152.66 167.37 29.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.7 t -56.62 154.8 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.8 163.44 23.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -165.24 153.53 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.71 142.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.57 138.66 53.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 127.6 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -149.17 176.18 10.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.13 166.68 37.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.8 t -143.92 151.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -64.62 175.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -128.0 -42.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' LYS . 17.7 mt-10 -34.3 137.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -145.08 178.58 7.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 26' ' ' ASN . 23.7 m -128.71 139.7 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.0 m -46.12 -33.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' H ' HG22 ' A' ' 24' ' ' THR . 25.6 m120 -97.32 175.72 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 97' ' ' LYS . 15.5 mt -80.67 108.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -136.85 110.59 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.723 ' HB3' HD13 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HA ' HD11 ' A' ' 79' ' ' ILE . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.665 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 59' ' ' ILE . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 39' ' ' ASN . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 77.87 7.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -44.67 148.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' GLN . 5.5 mtpm? -33.31 122.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -97.75 151.02 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -97.87 -41.87 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.5 p -151.71 155.29 38.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.03 120.33 3.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.84 54.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.62 2.213 . . . . 0.0 112.317 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.7 p -157.98 133.1 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.6 p -101.5 -49.8 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -145.0 175.13 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -127.93 170.66 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 166.81 24.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -168.08 141.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -171.16 147.35 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.61 115.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 tpt -159.89 114.76 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mt-10 -132.38 -41.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.5 mm? -36.34 108.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 9' ' ' GLU . 12.4 p -130.14 142.53 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 11' ' ' THR . 35.5 m-85 -166.45 165.72 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 62.8 m-80 -162.22 145.77 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -168.57 176.15 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.3 -179.2 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.75 175.29 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -130.14 -179.8 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.71 -159.85 33.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -140.77 174.32 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -110.73 118.33 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 7.2 tppt? -147.44 151.52 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -35.97 133.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 21' ' ' LYS . 24.6 m-85 -145.33 138.01 26.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' VAL . 25.8 m -53.55 145.14 15.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' THR . 7.4 p -33.63 128.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.26 165.71 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 97' ' ' LYS . 2.7 mt -53.95 145.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.64 103.88 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' HB3' ' CG ' ' A' ' 95' ' ' GLN . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.744 ' HB3' HE22 ' A' ' 95' ' ' GLN . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.617 HG21 ' CB ' ' A' ' 82' ' ' SER . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HG3' HD13 ' A' ' 81' ' ' ILE . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 59' ' ' ILE . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.485 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.763 HD13 ' HG3' ' A' ' 44' ' ' LYS . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -71.24 106.63 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.744 HE22 ' HB3' ' A' ' 32' ' ' GLU . 2.2 mm100 -93.87 144.39 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.67 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 27' ' ' ILE . 51.4 mtmt -82.91 121.71 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -144.24 157.4 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -66.74 125.7 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.97 122.16 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 t -125.71 170.47 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -170.78 151.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -151.81 175.55 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.3 177.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 162.23 23.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -173.67 152.37 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -173.1 162.06 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.12 135.12 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 ptm -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.02 155.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -170.19 133.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m -165.63 139.11 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.65 146.62 21.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -170.59 128.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -109.94 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.2 141.02 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.54 -49.55 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -99.72 -46.51 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.63 68.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.32 -59.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LYS . 20.3 p-10 -134.6 48.77 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' ASN . 17.4 pttm 32.65 41.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.84 -40.76 83.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -55.07 -49.24 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 p -110.95 123.05 49.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 27' ' ' ILE . 86.4 t -71.84 139.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -127.07 48.21 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 27' ' ' ILE . 49.0 mt -77.62 98.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -128.98 113.37 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' ' 82' ' ' SER . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HG3' HD11 ' A' ' 81' ' ' ILE . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' HG23 ' A' ' 65' ' ' VAL . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HD1' ' HE2' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.531 HG21 ' CG2' ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.405 ' HE2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.544 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HD3' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.549 HD11 ' HD3' ' A' ' 76' ' ' ARG . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.547 ' CB ' HG21 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.439 HG22 ' OE2' ' A' ' 40' ' ' GLU . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 95' ' ' GLN . 53.1 mttm -74.78 100.42 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.43 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -106.69 116.68 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -82.5 43.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.13 106.49 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -44.77 121.03 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.4 t -108.04 -55.36 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.8 -166.78 21.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 130.71 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -97.98 102.76 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -96.92 82.42 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -157.36 164.19 37.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -171.56 175.93 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.42 150.16 5.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -173.94 175.23 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.12 178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 151.8 21.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.83 161.05 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -173.33 171.94 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -152.6 179.77 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -130.33 174.6 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -162.74 173.55 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -159.74 172.52 17.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -154.52 143.17 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 161.55 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 144.78 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -115.07 -63.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.84 -163.06 12.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.6 p -172.72 120.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -128.05 174.99 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -142.65 147.52 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -128.29 87.4 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -134.84 62.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.719 HG21 ' HG3' ' A' ' 28' ' ' MET . 55.5 m -122.49 152.94 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.95 -66.28 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.68 151.05 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 95' ' ' GLN . 46.9 mm -45.18 121.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 24' ' ' THR . 3.5 mmt -142.61 112.75 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB3' HD13 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.79 HG21 ' CB ' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.552 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.943 HD11 ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.943 ' OG ' HD11 ' A' ' 59' ' ' ILE . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.79 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.84 105.07 15.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.649 ' O ' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -96.98 85.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -122.52 162.25 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.59 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -78.91 46.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.0 t -104.38 93.78 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.26 118.5 2.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.71 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -135.72 164.75 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -47.29 -52.95 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.505 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -82.64 146.36 29.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.72 174.6 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.57 145.31 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -158.38 172.93 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -158.87 149.85 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 132.34 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.0 mmm -132.55 115.13 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.13 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -124.76 133.44 53.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.3 m -97.84 -48.06 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 63.46 41.28 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -127.27 122.2 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -127.47 85.17 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 49.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.21 42.31 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -102.79 -43.94 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . 81.85 77.49 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' VAL . 33.0 m -34.45 124.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -117.31 42.31 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -146.78 119.41 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 21' ' ' LYS . 29.8 mt-10 -34.08 -53.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -41.65 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' GLU . 32.2 p -96.89 172.47 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.49 145.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.26 171.99 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.34 123.55 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp -141.35 104.89 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.677 ' CD ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.843 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 82' ' ' SER . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 HG21 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.677 HG22 ' CD ' ' A' ' 33' ' ' ARG . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 84' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -87.8 86.17 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.3 mp0 -79.52 -51.48 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' LYS . 4.6 tppp? -121.45 150.0 42.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.5 ttmm -132.76 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' NH2' ' H ' ' A' ' 104' ' ' GLY . 30.9 mtm180 -118.91 137.33 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -121.06 45.88 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.0 179.59 30.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.18 4.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t -76.24 89.04 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -97.83 125.98 42.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.405 ' H ' ' NH2' ' A' ' 98' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p 40.68 49.79 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.375 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 p -75.58 -36.55 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.53 172.87 5.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -165.58 165.8 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.08 174.29 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.9 172.07 44.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.5 mtp -163.99 146.83 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -143.29 170.65 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.9 mt -147.17 170.7 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -163.95 131.46 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -150.36 149.72 30.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -172.03 171.17 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -156.96 179.6 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 153.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.92 160.94 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -160.13 -179.98 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.76 116.73 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.93 155.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -155.72 125.22 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -129.28 151.39 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -117.86 90.9 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -113.24 126.56 55.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -129.17 170.41 13.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.55 -30.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -53.98 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.9 135.86 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm -136.68 105.99 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 86' ' ' VAL . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.902 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.604 HG21 ' CB ' ' A' ' 82' ' ' SER . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG3' HD13 ' A' ' 81' ' ' ILE . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.927 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.729 ' SD ' ' N ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.59 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 38' ' ' GLY . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.927 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.604 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -90.94 103.29 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.8 mp0 -98.64 -52.21 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -114.98 164.98 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -121.68 149.15 43.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -121.07 -65.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.408 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 31.0 t -107.37 -62.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.3 -75.16 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' HD2' ' C ' ' A' ' 99' ' ' SER . 53.7 Cg_endo -69.77 135.5 30.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 m -143.7 163.35 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -111.01 156.02 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -162.6 135.73 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -170.52 150.74 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.7 120.74 0.54 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -142.63 131.15 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -151.36 166.06 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.57 119.87 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ttt -163.32 164.31 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.31 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -154.8 145.12 22.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -139.53 178.37 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -146.3 164.52 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' A' ' 13' ' ' ASN . 36.4 t80 -128.72 161.8 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 60.9 t30 -143.64 172.28 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -169.76 140.8 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.11 174.46 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.73 141.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.93 163.98 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.58 55.81 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -106.72 126.71 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -174.31 178.0 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? 38.91 41.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.79 128.87 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -124.67 135.09 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.545 ' HA ' HD11 ' A' ' 27' ' ' ILE . 2.0 m -114.03 44.31 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.73 141.46 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 54.81 34.15 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 24' ' ' THR . 21.1 mt -65.38 84.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 27' ' ' ILE . 82.8 mmm -136.18 112.52 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HD3' HG22 ' A' ' 85' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 82' ' ' SER . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 78' ' ' SER . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.765 ' HG3' HD11 ' A' ' 81' ' ' ILE . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' HG21 ' A' ' 65' ' ' VAL . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 58' ' ' THR . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 45' ' ' VAL . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 38' ' ' GLY . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.424 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.68 HG22 ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 84' ' ' CYS . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -87.42 88.18 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.522 ' NE2' ' HG3' ' A' ' 32' ' ' GLU . 2.1 mm100 -98.57 147.57 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -52.53 97.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 104.5 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.16 -52.42 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -149.94 121.2 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.58 118.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -169.89 -175.92 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -105.22 179.87 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.767 0.317 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 46' ' ' GLN . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.458 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.463 HG22 ' CG2' ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.458 ' N ' ' HE1' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.435 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 38' ' ' GLY . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.776 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' NE ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 40' ' ' GLU . 1.2 p-10 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.603 HG21 ' HB3' ' A' ' 82' ' ' SER . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' PHE . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD1' HG23 ' A' ' 61' ' ' THR . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 38' ' ' GLY . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.603 ' HB3' HG21 ' A' ' 43' ' ' THR . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.492 HG22 ' NE ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.94 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.673 ' OD1' HG23 ' A' ' 80' ' ' ILE . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.705 ' HG3' HD11 ' A' ' 81' ' ' ILE . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.532 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.474 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.94 HD13 ' O ' ' A' ' 38' ' ' GLY . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.705 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.446 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 mttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.521 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 43' ' ' THR . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG21 HH21 ' A' ' 76' ' ' ARG . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.961 ' HG3' HD11 ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.42 HD22 HG22 ' A' ' 65' ' ' VAL . 21.4 m120 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 HD22 ' A' ' 60' ' ' ASN . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.61 ' NH1' HD11 ' A' ' 80' ' ' ILE . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 38' ' ' GLY . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.961 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.623 HG21 ' HB2' ' A' ' 82' ' ' SER . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 78' ' ' SER . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' HD11 ' A' ' 81' ' ' ILE . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 59' ' ' ILE . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 45' ' ' VAL . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.623 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.468 ' N ' HG12 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.96 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.499 HG21 ' CB ' ' A' ' 82' ' ' SER . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 81' ' ' ILE . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.596 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 38' ' ' GLY . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.5 ' C ' HG22 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.7 mmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 82' ' ' SER . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.573 ' HG3' HD11 ' A' ' 81' ' ' ILE . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.454 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.435 ' CG2' HG21 ' A' ' 65' ' ' VAL . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' THR . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 38' ' ' GLY . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.643 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 86' ' ' VAL . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 80' ' ' ILE . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 82' ' ' SER . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 81' ' ' ILE . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 78' ' ' SER . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.1 t-160 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.87 HG23 ' NH1' ' A' ' 67' ' ' ARG . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' THR . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.87 ' NH1' HG23 ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 45' ' ' VAL . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 46' ' ' GLN . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.762 HG23 ' OD1' ' A' ' 39' ' ' ASN . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.732 0.301 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 81' ' ' ILE . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HG3' HD11 ' A' ' 81' ' ' ILE . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 64' ' ' PHE . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 61' ' ' THR . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.407 ' O ' ' HD2' ' A' ' 67' ' ' ARG . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.453 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 80' ' ' ILE . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 46' ' ' GLN . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.494 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 92' ' ' GLN . 2.3 ptm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.745 0.307 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HG21 ' A' ' 86' ' ' VAL . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.917 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.608 HG21 ' HB3' ' A' ' 82' ' ' SER . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HD11 ' A' ' 81' ' ' ILE . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.718 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.608 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.491 ' SG ' HG22 ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 33' ' ' ARG . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.749 0.309 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.705 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.873 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 3.7 t-160 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 56' ' ' MET . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.41 ' H ' ' CB ' ' A' ' 51' ' ' CYS . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.405 ' CG2' HG21 ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' THR . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' ILE . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.873 HD13 ' O ' ' A' ' 38' ' ' GLY . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.518 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.745 0.307 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.665 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.613 ' OD1' HG23 ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 43' ' ' THR . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' HD11 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.613 HG23 ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.461 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.665 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HG2' ' CE ' ' A' ' 28' ' ' MET . 27.6 mttp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.6 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 82' ' ' SER . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.79 ' HG3' HD11 ' A' ' 81' ' ' ILE . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.406 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.483 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.406 ' C ' ' HE3' ' A' ' 56' ' ' MET . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 38' ' ' GLY . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.79 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.769 0.318 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.723 ' HB3' HD13 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HA ' HD11 ' A' ' 79' ' ' ILE . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.665 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 59' ' ' ILE . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 39' ' ' ASN . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.617 HG21 ' CB ' ' A' ' 82' ' ' SER . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HG3' HD13 ' A' ' 81' ' ' ILE . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.646 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 59' ' ' ILE . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.485 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.763 HD13 ' HG3' ' A' ' 44' ' ' LYS . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' ' 82' ' ' SER . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HG3' HD11 ' A' ' 81' ' ' ILE . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' HG23 ' A' ' 65' ' ' VAL . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HD1' ' HE2' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.531 HG21 ' CG2' ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.405 ' HE2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.544 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HD3' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.549 HD11 ' HD3' ' A' ' 76' ' ' ARG . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.547 ' CB ' HG21 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.439 HG22 ' OE2' ' A' ' 40' ' ' GLU . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB3' HD13 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.79 HG21 ' CB ' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.552 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.943 HD11 ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.943 ' OG ' HD11 ' A' ' 59' ' ' ILE . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.79 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.326 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.677 ' CD ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.843 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 82' ' ' SER . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 HG21 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.677 HG22 ' CD ' ' A' ' 33' ' ' ARG . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 84' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 86' ' ' VAL . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.902 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.604 HG21 ' CB ' ' A' ' 82' ' ' SER . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG3' HD13 ' A' ' 81' ' ' ILE . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.927 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.729 ' SD ' ' N ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.59 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 38' ' ' GLY . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.927 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.604 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HD3' HG22 ' A' ' 85' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 82' ' ' SER . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 78' ' ' SER . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.765 ' HG3' HD11 ' A' ' 81' ' ' ILE . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' HG21 ' A' ' 65' ' ' VAL . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 58' ' ' THR . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 45' ' ' VAL . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 38' ' ' GLY . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.424 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.68 HG22 ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 84' ' ' CYS . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -171.53 134.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -168.74 170.67 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 67.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -106.1 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -130.96 163.77 26.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 -43.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 mmt 58.91 39.74 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.29 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' CG ' HD12 ' A' ' 10' ' ' LEU . 1.4 tp10 -69.55 -66.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 9' ' ' GLU . 4.6 mp -122.83 170.47 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 HG22 ' OD1' ' A' ' 13' ' ' ASN . 25.3 m -121.07 109.74 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.04 35.85 4.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 11' ' ' THR . 0.6 OUTLIER -83.55 -57.7 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -112.81 170.26 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 175.92 10.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.07 172.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.075 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -42.89 17.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.37 -60.27 9.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.14 84.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.09 134.17 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -74.07 132.99 42.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.24 43.11 8.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.48 -58.25 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 t -167.74 119.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -51.12 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -44.34 135.89 4.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.5 mt -109.35 128.02 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mmt -128.19 118.2 22.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -134.42 172.45 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m -64.6 129.49 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 t -48.25 162.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -115.15 -34.4 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -65.84 -41.76 91.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.09 -11.53 16.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 62.83 39.5 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.96 32.77 63.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -104.99 -49.09 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.21 30.2 5.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -154.93 156.32 35.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.21 138.34 97.31 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.634 0.73 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 4.36 2.22 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.377 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.72 27.99 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -132.96 164.99 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -99.14 -178.55 3.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.938 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 46' ' ' GLN . 75.4 t -139.72 153.23 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.776 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.0 mt-30 -115.77 151.85 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.08 133.38 40.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 79' ' ' ILE . 11.1 t -90.5 138.16 31.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 93.2 m-70 -95.24 -43.4 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -33.66 -61.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 p -92.41 -38.59 11.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 17.5 56.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.98 13.89 26.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 p -111.8 -14.57 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 68.23 23.02 74.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.458 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -124.21 136.04 53.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.712 0.292 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -119.95 154.27 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.463 HG22 ' CG2' ' A' ' 65' ' ' VAL . 9.1 m -126.38 133.64 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.51 101.35 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.1 101.11 11.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.54 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -123.72 107.96 12.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.58 -151.96 51.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.509 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -0.92 7.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.303 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 61' ' ' THR . 3.2 p90 -124.46 172.81 8.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 58' ' ' THR . 7.2 p -145.89 147.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.98 172.09 7.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -136.36 121.1 18.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.458 ' N ' ' HE1' ' A' ' 56' ' ' MET . 1.2 t -146.61 150.47 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 m -57.01 133.36 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -41.01 152.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 6.2 ptp180 -109.49 -35.65 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 12.9 mmm180 -61.14 -46.77 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.7 p -100.18 -41.65 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.81 33.93 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.435 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 77.48 36.59 33.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . 9.8 ttm105 -119.16 -37.96 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.22 12.49 36.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -164.62 153.78 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.4 mp -96.01 122.89 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 38' ' ' GLY . 88.7 mt -90.54 95.04 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.776 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -41.62 -38.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -137.96 104.95 8.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 110.852 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.7 Cg_endo -69.74 142.81 49.02 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.8 t -36.75 155.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.06 -5.36 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -102.95 -53.18 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.2 p -99.39 -1.84 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 50.76 33.17 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.72 35.51 28.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -96.53 -34.84 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.48 -11.09 59.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.439 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -150.46 153.75 36.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.78 -176.76 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -84.51 113.72 21.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.523 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -115.0 92.19 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -43.23 106.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -128.77 150.35 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -101.88 -54.53 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.9 p -94.09 -60.77 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 70.44 74.86 0.64 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.08 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m -43.82 -61.04 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.7 t -75.66 101.49 5.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.534 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.19 174.04 15.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -173.51 176.89 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.86 150.93 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -174.41 156.15 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -173.91 159.38 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 -175.36 16.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtt -161.9 143.63 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -128.71 166.37 19.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.3 mt -149.15 145.32 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -166.23 164.08 17.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 19.1 p90 -132.01 78.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -174.41 124.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -170.38 135.23 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.23 115.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.29 124.48 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -137.31 107.01 6.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.13 -162.89 31.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.97 144.84 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.349 . . . . 0.0 111.18 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -113.02 115.45 28.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -151.44 138.01 18.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.8 71.2 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -60.46 142.89 54.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -89.26 166.37 13.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 25' ' ' VAL . 9.4 p -82.37 42.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -135.01 84.09 2.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' A' ' 96' ' ' LYS . 10.8 mt -76.69 115.1 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.0 mmt -134.41 107.64 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -129.2 167.35 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -67.89 136.74 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -51.83 158.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -113.5 -35.58 5.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' NE ' HG22 ' A' ' 85' ' ' VAL . 10.1 ttt85 -58.74 -43.06 90.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.5 -9.17 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 m120 63.08 42.6 7.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.51 19.92 75.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.534 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -87.5 -58.23 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.881 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 116.1 19.08 5.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 40' ' ' GLU . 1.2 p-10 -146.35 160.6 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 70.5 mt-10 -64.52 139.36 97.72 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 5.68 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.39 -12.65 8.74 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.603 HG21 ' HB3' ' A' ' 82' ' ' SER . 78.7 p -98.46 172.84 7.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -102.02 176.62 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -135.93 147.26 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -109.75 147.33 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -77.53 133.94 38.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.81 134.8 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.458 ' O ' ' C ' ' A' ' 50' ' ' TYR . 5.5 t-80 -89.75 -42.94 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -33.82 -60.42 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -96.25 -39.68 9.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.17 19.45 39.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.66 35.07 5.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -128.7 -29.57 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.96 30.83 22.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.5 tpt -139.27 138.79 37.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -117.46 150.26 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' CG2' ' A' ' 65' ' ' VAL . 10.5 m -118.8 128.57 54.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.2 mp -105.74 96.16 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -82.79 98.55 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' PHE . 1.6 t -121.68 105.58 10.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.62 -150.82 51.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -2.18 9.7 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.369 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD1' HG23 ' A' ' 61' ' ' THR . 4.3 p90 -126.28 166.14 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -144.13 137.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.1 mmt -97.73 171.7 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 mmt-85 -136.74 116.23 12.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.8 t -142.21 152.26 42.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.1 m -54.43 138.83 39.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.9 t -45.23 159.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -118.49 -33.91 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 31.3 mmt180 -62.9 -53.4 54.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.8 p -90.51 -44.54 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 32.29 4.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.75 38.62 23.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -121.75 -35.12 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.73 -7.08 45.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -153.69 162.23 41.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.3 125.46 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 38' ' ' GLY . 92.6 mt -93.85 121.94 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.52 -31.38 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.603 ' HB3' HG21 ' A' ' 43' ' ' THR . 30.3 t -136.92 116.97 10.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.679 0.752 . . . . 0.0 110.841 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.66 26.16 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.3 156.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.492 HG22 ' NE ' ' A' ' 33' ' ' ARG . 29.9 m -106.15 -4.15 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -102.93 -50.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.6 p -101.57 -15.13 17.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 66.06 48.47 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.82 45.47 94.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -112.41 -36.88 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 111.078 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.35 -6.98 68.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.82 158.19 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -162.04 -178.39 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -95.08 86.74 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -105.77 94.21 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.772 ' HB3' HD13 ' A' ' 27' ' ' ILE . 9.0 ptpt -91.21 75.9 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 98' ' ' ARG . 17.8 ttpp -129.14 133.42 47.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 97' ' ' LYS . 36.3 ttt180 33.94 44.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -46.57 58.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.58 -169.01 37.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -114.45 -61.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.2 p -113.35 166.14 11.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.14 169.46 18.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -162.22 163.41 28.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.78 156.41 26.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -156.8 160.26 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -163.34 147.62 10.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.59 163.07 30.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -144.67 176.03 9.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -152.87 156.67 39.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mp -144.24 173.94 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 p -147.65 176.18 10.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -154.64 148.73 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -129.92 169.68 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -136.97 162.7 32.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.39 177.35 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.92 115.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -168.1 136.23 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.85 175.29 29.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.82 145.39 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -137.23 123.26 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -174.94 113.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 23' ' ' PHE . 13.2 pt-20 -126.59 -51.42 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 22' ' ' GLU . 17.2 p90 -174.9 177.36 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 p -90.3 122.39 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG22 ' N ' ' A' ' 26' ' ' ASN . 14.9 p -150.46 163.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' N ' HG22 ' A' ' 25' ' ' VAL . 12.1 m-80 -64.5 91.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG13 HG13 ' A' ' 25' ' ' VAL . 7.9 mt -142.44 121.76 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 87.5 mmm -144.16 105.08 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 95' ' ' GLN . 2.5 m-20 -126.71 166.3 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -43.16 135.96 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HA ' ' OE1' ' A' ' 95' ' ' GLN . 17.9 t -55.19 164.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.82 -36.53 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -59.51 -37.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.18 -9.33 12.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 62.78 46.39 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.78 35.15 91.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -106.0 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.94 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 24.23 5.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.673 ' OD1' HG23 ' A' ' 80' ' ' ILE . 65.8 t30 -149.5 151.67 34.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 6.8 mm-40 -63.41 141.07 97.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 10.49 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -145.96 24.93 1.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 12.4 p -114.87 168.45 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.2 169.58 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.34 148.4 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.705 ' HG3' HD11 ' A' ' 81' ' ' ILE . 39.7 mt-30 -109.87 131.24 55.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.81 119.08 11.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 36.0 t -78.02 128.42 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 24.4 t60 -84.34 -40.89 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -34.51 -60.28 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.7 p -97.94 -37.98 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.32 15.0 59.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.8 13.06 21.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.8 t -104.97 -24.79 12.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.81 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.48 28.74 51.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 68' ' ' SER . 13.3 tpp -139.78 138.54 35.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.88 146.93 29.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.532 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.4 m -111.5 127.07 55.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.5 mp -105.34 103.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -80.02 101.09 8.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 61' ' ' THR . 15.2 t -131.39 112.33 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.41 -155.32 40.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -6.18 17.94 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -119.13 172.88 7.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 58' ' ' THR . 81.1 t -142.46 138.89 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.2 mmt -97.35 172.3 7.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -141.0 113.98 8.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' C ' ' SD ' ' A' ' 56' ' ' MET . 1.2 t -137.79 145.25 42.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -43.32 137.33 2.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.41 160.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -116.62 -32.55 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 20.1 mmm180 -69.46 -48.15 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.4 p -94.84 -42.87 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.32 32.29 6.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.14 38.15 23.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 78' ' ' SER . 18.8 ttp-105 -119.51 -41.52 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.15 -13.33 21.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.474 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 47.2 m -156.03 163.58 39.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.73 124.57 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.94 HD13 ' O ' ' A' ' 38' ' ' GLY . 57.5 mt -87.75 114.43 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.705 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -71.65 -34.16 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.446 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.8 m -128.85 109.87 18.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.647 0.737 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.77 136.74 33.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 11.5 t -37.72 149.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -101.76 0.54 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.94 -39.41 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 28.0 p -111.47 -19.11 12.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 68.28 37.82 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.15 36.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.98 -38.7 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.25 54.38 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -154.07 134.5 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.71 -175.49 4.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' C ' HE21 ' A' ' 95' ' ' GLN . 24.0 mttm -74.01 74.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.481 ' CB ' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -103.96 127.16 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.481 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.5 pmtp? -42.38 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -77.37 115.17 16.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -108.04 -49.02 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.6 m -154.57 107.98 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.07 -75.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -1.48 8.55 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -121.66 138.24 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 m 61.45 54.86 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.48 151.39 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.395 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 68.28 42.18 1.74 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.96 154.82 39.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -172.12 177.09 3.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 m -125.84 177.87 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.12 -158.82 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttp -150.77 177.95 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.39 176.5 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -128.83 176.87 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -147.35 152.62 38.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.45 172.32 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -136.14 176.99 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -126.4 178.49 5.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.74 168.08 20.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.85 173.98 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.87 147.19 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.63 157.57 27.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.63 149.5 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -159.25 140.61 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -144.62 155.26 43.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -169.2 156.26 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -126.57 84.35 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.1 p -136.71 127.9 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 p -74.43 -28.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -75.84 150.87 37.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.36 98.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mmt -143.1 122.47 13.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -149.63 178.07 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m -64.09 130.19 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.2 t -48.26 157.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -111.48 -28.9 7.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.521 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.1 ttt180 -67.77 -45.96 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -104.88 -8.55 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.13 39.24 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.61 32.97 63.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -103.47 -53.61 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.96 20.68 6.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -149.98 153.03 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' HB2' HG23 ' A' ' 43' ' ' THR . 4.6 mp0 -62.91 138.76 97.26 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.682 0.753 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 17.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -138.86 -4.76 1.52 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 40' ' ' GLU . 60.2 p -97.34 162.05 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -92.16 -175.48 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG21 HH21 ' A' ' 76' ' ' ARG . 97.7 t -145.82 149.25 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.961 ' HG3' HD11 ' A' ' 81' ' ' ILE . 32.2 mt-30 -111.95 123.4 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -55.21 128.36 33.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.44 151.94 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.7 t60 -106.71 -43.03 4.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.4 m-85 -36.26 -64.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 p -90.61 -35.06 15.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.83 19.2 58.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.78 23.52 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.0 p -116.08 -20.19 9.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 72.42 35.69 59.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -147.12 136.5 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -115.61 151.17 35.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 m -122.07 131.3 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 59' ' ' ILE . 5.1 mp -105.62 104.14 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.42 HD22 HG22 ' A' ' 65' ' ' VAL . 21.4 m120 -82.89 98.37 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 t -125.47 117.78 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 54.84 -155.92 8.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.6 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -123.75 171.9 9.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG22 HD22 ' A' ' 60' ' ' ASN . 90.7 t -145.0 145.02 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.8 mmt -108.6 172.75 6.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 67' ' ' ARG . 15.5 mmm-85 -137.71 115.27 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.5 t -138.16 145.97 42.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -57.9 141.9 47.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.0 t -54.06 143.7 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -23.05 11.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.4 mmt180 -68.15 -43.74 77.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.3 p -103.99 -37.47 7.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.81 30.95 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.38 37.37 41.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.61 ' NH1' HD11 ' A' ' 80' ' ' ILE . 16.4 ttt180 -119.85 -33.97 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.23 -11.5 31.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.9 m -152.64 162.31 41.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.11 125.19 46.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 38' ' ' GLY . 73.2 mt -86.27 104.15 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.961 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -53.79 -39.18 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.7 m -134.04 110.74 11.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.691 0.758 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.46 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 54.5 Cg_endo -69.72 147.85 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.593 ' SG ' HG22 ' A' ' 86' ' ' VAL . 5.4 t -41.07 160.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -112.47 -9.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.593 HG22 ' SG ' ' A' ' 84' ' ' CYS . 3.6 m -103.25 -37.43 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.09 -12.75 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.4 OUTLIER 58.0 49.61 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.91 36.49 92.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.426 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -97.24 -33.71 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.15 -10.34 67.68 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -144.0 150.87 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -149.54 169.67 20.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 88.6 mttt -74.87 110.16 8.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 0.1 OUTLIER -109.89 89.87 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -42.62 144.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -82.41 127.98 33.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -50.95 -65.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -52.95 -63.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.61 139.23 5.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.47 62.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -69.62 83.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -167.17 163.96 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.828 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.466 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.4 164.51 32.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -152.71 140.81 20.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 -155.02 22.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.16 163.2 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -147.19 176.65 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.84 -179.06 24.43 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -173.38 170.72 4.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' C ' HD23 ' A' ' 10' ' ' LEU . 10.3 tm-20 -174.84 147.31 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -171.64 130.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 m -162.74 149.51 12.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -173.32 143.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -168.58 120.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -145.04 175.98 9.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.03 122.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.73 161.68 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -126.98 110.42 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 92.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.465 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.69 164.77 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.81 -44.14 5.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -47.25 169.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.42 154.27 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' THR . 30.5 m-85 -129.81 173.96 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' PHE . 40.6 p -35.27 132.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.7 p -36.37 139.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 27' ' ' ILE . 95.5 m-20 -112.37 170.8 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.639 HD12 ' H ' ' A' ' 27' ' ' ILE . 5.1 mp -33.85 132.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 77.1 mmm -129.13 116.1 18.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.74 175.37 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.4 m -78.32 137.67 38.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.0 t -50.25 162.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -116.39 -30.75 5.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -70.41 -39.91 74.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -108.3 -11.23 15.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m120 62.81 38.51 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.24 30.38 60.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.73 -52.43 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.702 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 109.6 24.02 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.519 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -156.56 157.85 36.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 82' ' ' SER . 50.6 mp0 -62.95 141.24 97.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.664 0.745 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 9.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.248 . . . . 0.0 112.353 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.71 17.05 4.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.623 HG21 ' HB2' ' A' ' 82' ' ' SER . 20.6 p -111.09 173.91 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 11.7 tttt -110.09 161.09 15.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 78' ' ' SER . 43.2 t -134.17 143.8 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.485 ' HG3' HD11 ' A' ' 81' ' ' ILE . 16.4 mt-30 -110.72 135.61 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.27 131.28 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.3 t -85.28 150.23 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.9 m80 -101.99 -47.24 4.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -35.13 -58.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.9 p -97.88 -37.01 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.14 21.78 56.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.91 3.01 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -131.88 -35.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 90.14 29.79 14.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.481 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.8 ttm -148.96 136.19 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -102.73 152.89 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.3 m -118.3 128.25 54.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' C ' HG23 ' A' ' 65' ' ' VAL . 5.3 mp -107.03 96.09 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -81.08 102.72 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.0 114.2 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.3 -153.09 43.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.16 2.92 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -131.52 169.36 16.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.454 HG23 ' C ' ' A' ' 59' ' ' ILE . 4.7 p -145.02 140.66 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.9 mmt -99.9 172.92 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -139.14 113.96 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -136.81 145.63 44.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 m -46.28 141.98 3.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.183 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.7 t -52.22 166.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -123.03 -37.54 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.6 mmt180 -63.52 -53.54 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.8 p -88.38 -42.68 12.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.9 31.81 5.26 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.28 40.04 20.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -122.53 -40.68 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.4 -14.34 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 45' ' ' VAL . 68.9 m -149.09 167.4 26.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.77 119.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.702 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.7 mt -91.39 103.33 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -58.83 -32.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.623 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.4 m -135.56 108.77 10.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 141.03 44.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.2 t -41.67 160.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 m -108.51 -3.39 10.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -105.83 -54.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.468 ' N ' HG12 ' A' ' 86' ' ' VAL . 25.3 p -100.1 0.96 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 44.03 47.51 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.19 39.15 94.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -102.61 -27.53 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.83 -13.43 66.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -146.57 158.38 43.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.0 177.0 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -90.63 104.3 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.61 83.74 4.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -58.45 -59.89 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.24 97.24 11.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.23 -33.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -169.09 113.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -147.69 83.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -43.97 2.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.6 p -155.01 173.5 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.2 p -74.01 143.41 45.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.04 177.11 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -163.01 175.06 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.3 -171.72 29.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -167.69 171.78 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -154.52 178.58 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.26 177.02 20.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.54 -27.3 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.75 0.31 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.06 50.85 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.13 178.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.3 p -121.94 170.21 10.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -166.15 142.49 5.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -118.24 160.94 20.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -83.7 95.73 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.72 159.82 42.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.21 44.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -154.59 149.4 26.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.0 123.61 7.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.17 37.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -51.22 -52.25 46.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -43.71 153.09 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -61.32 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 22' ' ' GLU . 37.2 m-85 -36.89 132.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -99.17 152.78 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -78.38 -34.7 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -76.82 53.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.2 mt -128.3 95.33 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtp -144.64 115.03 7.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -144.52 169.06 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -41.72 130.12 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.1 t -49.26 163.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -115.67 -29.25 6.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -73.01 -45.91 55.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.22 -12.6 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 63.5 42.18 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.95 31.68 72.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -104.36 -48.25 3.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.96 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 101.71 31.88 5.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.77 154.94 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 11.3 mt-10 -62.91 138.96 97.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 11.57 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -152.92 38.64 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.499 HG21 ' CB ' ' A' ' 82' ' ' SER . 38.1 p -130.54 -179.12 5.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 111.13 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -112.38 157.83 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -145.85 152.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 81' ' ' ILE . 1.4 mm100 -108.54 163.59 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -92.11 118.8 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t -75.45 120.44 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.0 -33.94 33.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.596 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.1 m-85 -40.38 -58.12 1.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.32 -38.43 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.18 17.74 45.66 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.44 9.95 37.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.502 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 p -98.93 -24.64 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.45 27.96 49.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.4 tpp -143.27 138.59 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' THR . 8.5 tt0 -106.76 158.52 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.5 m -125.75 128.5 47.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.9 mp -104.73 95.77 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -79.17 99.27 6.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 64' ' ' PHE . 6.5 t -125.09 119.54 28.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.8 -155.33 25.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.29 2.86 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 61' ' ' THR . 3.7 p90 -129.11 173.46 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 58' ' ' THR . 4.0 p -145.72 143.96 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.0 mmt -104.69 173.31 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -139.63 115.93 10.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.3 t -141.78 147.1 36.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -46.45 136.78 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.6 t -51.07 154.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -110.56 -30.4 7.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 6.9 mmp_? -65.96 -54.7 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.83 -40.19 11.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.52 33.26 6.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.05 34.89 28.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -114.81 -41.48 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.939 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 105.96 0.41 38.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -164.46 156.98 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.09 99.88 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.96 HD13 ' O ' ' A' ' 38' ' ' GLY . 19.1 mt -82.55 92.87 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -45.6 -29.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.5 ' C ' HG22 ' A' ' 80' ' ' ILE . 26.2 t -134.23 99.59 13.32 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.8 Cg_endo -69.76 140.16 42.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.392 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.2 t -35.95 154.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 34.6 m -105.4 -4.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -103.23 -46.8 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 23.7 p -106.32 -11.47 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' NH1' ' HA ' ' A' ' 85' ' ' VAL . 7.4 mmt180 57.29 39.68 28.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.65 38.97 50.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.536 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.05 -37.61 8.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.78 -9.72 52.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -142.23 154.04 44.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -146.21 -177.81 5.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.561 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 29.4 ttmt -72.31 82.82 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.561 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -117.3 118.12 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 95' ' ' GLN . 1.2 ttmp? -34.85 112.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -75.82 145.51 40.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -175.02 119.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.6 t 52.4 42.22 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 101' ' ' PRO . . . -112.68 110.12 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 100' ' ' GLY . 54.1 Cg_endo -69.73 176.32 6.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.8 t -158.99 135.51 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t -174.88 177.27 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.527 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -159.0 174.87 14.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.912 0.387 . . . . 0.0 110.856 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -163.73 173.12 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.33 -178.22 25.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -174.69 170.29 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -155.08 177.26 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.39 -175.0 31.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -157.22 157.26 33.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' C ' HD13 ' A' ' 10' ' ' LEU . 81.5 mm-40 -113.82 161.34 17.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -159.48 172.21 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -118.12 175.19 5.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -171.9 140.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 14' ' ' GLN . 13.1 t-20 -173.72 162.49 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 2.2 tt0 -56.46 160.48 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.91 111.47 23.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.54 145.35 29.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 39.06 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.88 -175.4 14.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.4 136.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 21' ' ' LYS . 1.4 t30 -50.9 136.13 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -97.12 141.71 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.23 118.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -89.9 51.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' VAL . 80.5 p -135.94 119.95 17.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.145 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 24' ' ' THR . 85.1 t -33.7 139.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -108.48 162.48 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 HG21 ' O ' ' A' ' 95' ' ' GLN . 48.2 mm -77.37 122.16 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.7 mmt -144.21 111.89 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.61 -178.15 4.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m -68.74 128.49 36.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.6 t -44.75 161.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -114.94 -32.25 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 ttt85 -69.18 -44.98 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.13 -12.18 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.2 m120 62.54 40.01 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.36 68.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -107.15 -44.77 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 99.1 28.39 7.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.24 148.29 28.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -63.16 140.24 97.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.596 0.712 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 7.88 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.29 25.14 3.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 82' ' ' SER . 35.2 p -125.0 166.72 15.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.366 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -99.87 178.7 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.5 t -144.92 147.83 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.573 ' HG3' HD11 ' A' ' 81' ' ' ILE . 35.2 mt-30 -113.11 134.43 54.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -64.69 123.26 18.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.9 t -81.0 135.51 35.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 40.6 p-80 -92.51 -36.48 13.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -39.5 -60.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 p -95.04 -39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.62 21.4 40.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.542 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 33.34 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 99.4 p -127.3 -27.53 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.71 31.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.454 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -140.59 126.32 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -101.18 149.46 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.435 ' CG2' HG21 ' A' ' 65' ' ' VAL . 4.9 m -112.42 120.37 41.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.72 96.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.24 99.24 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' THR . 5.3 t -124.44 109.51 13.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.58 -150.5 51.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.6 Cg_endo -69.81 -9.1 25.26 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' HG2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -119.32 172.6 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.0 p -141.55 136.9 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mmt -102.95 146.04 28.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.3 115.32 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.1 t -135.07 148.09 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.6 m -48.9 130.62 18.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.4 t -44.48 148.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -105.94 -31.49 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 5.8 mmp_? -65.14 -56.26 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.7 p -89.11 -39.34 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.76 31.33 7.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.31 42.01 15.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' NH1' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -125.28 -37.3 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 -18.36 17.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.0 m -147.45 163.15 37.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.78 118.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 38' ' ' GLY . 82.4 mt -85.78 102.09 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.601 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -54.0 -38.16 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.643 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.5 m -135.23 106.19 10.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.656 0.741 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.65 67.36 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.59 161.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.14 -6.15 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.6 t -102.33 -52.47 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 27.8 p -100.75 -8.14 23.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 51.93 41.27 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.45 39.24 57.19 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.71 -31.49 10.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.89 -12.5 62.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -143.5 156.91 44.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.41 168.31 26.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 35.4 mtpt -67.6 118.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.556 ' O ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -108.14 106.84 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? 60.55 51.57 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -91.29 135.98 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -128.25 60.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -83.72 -68.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.36 139.1 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.29 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 t -91.05 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.1 p -119.54 110.65 17.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.551 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -152.46 171.48 18.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -144.41 139.47 28.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.16 170.77 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -159.31 141.76 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -110.56 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.67 156.77 14.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -171.19 174.73 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.293 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -173.28 174.43 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -153.18 128.09 9.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -131.47 126.1 34.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -84.34 -57.41 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 46.44 44.63 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.98 105.54 16.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 109.58 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.1 110.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -171.55 156.14 4.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.02 -124.87 3.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 20' ' ' ASN . 13.2 m -92.48 115.87 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 19' ' ' VAL . 27.7 m120 -162.2 162.59 28.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.27 30.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -166.57 142.61 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -117.43 167.46 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.9 m -87.89 84.9 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 27' ' ' ILE . 16.4 m -121.87 -176.14 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -87.27 90.79 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 95' ' ' GLN . 5.2 mp -89.87 116.92 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.9 mmt -135.25 103.56 5.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -121.15 -173.11 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.7 m -76.36 130.67 38.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.9 t -52.75 154.45 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.97 -34.26 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 86' ' ' VAL . 37.7 ttt85 -62.37 -38.38 89.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -114.67 -4.17 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 62.59 44.65 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.38 32.95 82.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -105.55 -52.63 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 111.2 19.62 7.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.762 ' OD1' HG23 ' A' ' 80' ' ' ILE . 56.8 t30 -135.83 148.63 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 42' ' ' GLY . 29.3 mt-10 -63.16 141.0 97.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 11.5 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.395 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -134.48 12.59 4.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.519 HG21 ' HB3' ' A' ' 82' ' ' SER . 41.5 p -115.07 -174.87 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 111.139 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 81' ' ' ILE . 87.4 mttt -119.22 -179.82 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 78' ' ' SER . 41.3 t -146.51 141.63 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 1.9 mm100 -111.08 156.32 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -81.86 116.08 21.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.3 t -78.26 131.59 37.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' TYR . 4.1 t-160 -89.56 -39.52 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.7 m-85 -35.05 -63.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.0 p -93.23 -37.92 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 21.83 43.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.59 30.92 6.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -125.9 -27.75 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.23 29.22 34.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -138.46 133.48 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -105.37 145.88 30.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.87 HG23 ' NH1' ' A' ' 67' ' ' ARG . 7.1 m -113.29 124.68 53.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.9 mp -103.8 97.81 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.65 101.39 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 61' ' ' THR . 2.1 t -128.49 106.15 8.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.63 -154.35 52.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.45 3.51 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -129.26 171.45 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.9 p -145.14 141.02 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.1 mmt -101.34 172.59 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.87 ' NH1' HG23 ' A' ' 58' ' ' THR . 25.9 mmt-85 -138.56 115.82 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 t -138.71 148.6 44.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.9 m -49.52 137.78 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.75 161.98 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -121.62 -30.92 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.2 mmt180 -67.98 -51.34 48.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.81 -45.11 8.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.85 31.79 4.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.55 38.23 25.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -122.91 -36.4 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.68 -7.44 36.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' HB3' HG12 ' A' ' 45' ' ' VAL . 45.5 m -151.66 163.51 38.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 46' ' ' GLN . 4.5 mp -93.85 120.86 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.762 HG23 ' OD1' ' A' ' 39' ' ' ASN . 87.6 mt -97.88 97.48 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.502 ' N ' HD13 ' A' ' 81' ' ' ILE . 3.8 mm -38.71 -39.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.519 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.51 123.71 5.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 141.41 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.79 160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.0 -3.8 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -98.98 -53.82 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 29.1 p -103.45 -14.08 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 64.26 48.01 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 65.51 41.66 96.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.28 -34.24 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.24 -16.94 59.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -146.07 146.71 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' C ' HE21 ' A' ' 95' ' ' GLN . . . -144.05 174.92 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 29.0 pttt -74.9 111.05 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 27' ' ' ILE . 3.4 mm-40 -105.11 171.48 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -101.0 46.67 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -113.4 147.3 38.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.7 ttp85 -97.23 99.02 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 m -61.67 177.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.08 158.19 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -24.74 29.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t -67.04 85.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -122.19 -58.62 1.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.495 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -143.26 155.8 44.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -125.96 -58.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.22 145.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -172.44 175.1 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -141.21 175.14 9.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.52 -169.36 17.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.459 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 tpt -128.62 151.25 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.09 174.23 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -159.12 174.06 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.6 p -112.14 151.4 29.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -166.13 152.14 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -143.16 151.06 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -157.69 176.39 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.11 170.96 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 79.67 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.059 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -123.14 158.26 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.96 118.69 0.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.83 169.67 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.348 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -110.57 152.39 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -133.81 81.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -85.29 170.56 12.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -70.5 -60.06 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m -96.64 89.51 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 p -174.79 153.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -156.56 149.98 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.73 HD12 ' H ' ' A' ' 27' ' ' ILE . 5.1 mp -48.25 110.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.1 mmt -135.06 109.51 8.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.71 167.87 20.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m -56.53 131.83 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -48.06 152.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -104.91 -29.46 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -68.15 -55.24 13.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.1 p -93.13 -10.75 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.86 40.25 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.31 28.87 70.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -100.32 -46.76 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.07 10.09 26.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -138.92 158.73 43.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 5.6 mm-40 -63.31 140.62 97.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 14.5 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.75 2.3 . . . . 0.0 112.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.93 41.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 22.7 p -129.91 -174.71 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 81' ' ' ILE . 8.6 pttp -117.55 155.52 29.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -145.8 151.52 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.728 ' HG3' HD11 ' A' ' 81' ' ' ILE . 29.8 mt-30 -109.67 161.41 15.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -88.33 117.46 27.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.24 128.79 37.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' TYR . 64.4 m80 -87.87 -41.27 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.9 m-85 -37.3 -62.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.97 -37.86 11.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.04 18.74 53.3 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.92 33.24 5.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 90.9 p -129.08 -28.23 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.82 30.04 27.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HE3' ' C ' ' A' ' 68' ' ' SER . 4.9 tpt -137.03 125.29 23.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.725 0.297 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -98.03 149.81 22.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.3 m -111.24 124.71 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.8 mp -108.48 96.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -77.95 101.36 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.598 HG23 ' CD1' ' A' ' 64' ' ' PHE . 8.8 t -124.54 112.23 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.0 -151.23 34.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 64' ' ' PHE . 53.9 Cg_endo -69.79 3.48 2.76 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.345 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 61' ' ' THR . 0.9 OUTLIER -129.51 174.1 9.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.0 p -144.42 135.47 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.407 ' O ' ' HD2' ' A' ' 67' ' ' ARG . 4.3 mmt -103.55 152.11 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -119.87 114.14 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.453 ' C ' ' HE3' ' A' ' 56' ' ' MET . 1.3 t -130.58 150.33 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.9 m -48.14 136.01 12.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.83 153.09 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 72' ' ' ARG . 5.4 ptp180 -113.31 -30.21 6.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.6 mmt180 -65.44 -46.77 78.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.4 p -100.15 -41.5 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.89 36.54 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.94 40.54 35.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -120.12 -39.68 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.95 -6.79 37.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.5 m -160.01 155.04 24.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.34 100.76 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 80' ' ' ILE . 18.2 mt -81.01 92.71 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.728 HD11 ' HG3' ' A' ' 46' ' ' GLN . 3.7 mp -41.84 -34.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.494 ' CB ' HG21 ' A' ' 43' ' ' THR . 8.0 m -134.41 99.57 13.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.413 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.9 Cg_endo -69.75 147.67 63.46 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.365 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.0 t -45.42 151.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.86 5.2 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.94 -45.0 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -111.04 -16.11 13.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 67.26 49.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.5 42.11 99.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -107.34 -37.39 6.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.33 -18.02 54.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.422 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -128.45 159.23 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -168.96 169.02 9.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.507 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 21.6 ttmm -75.31 105.01 6.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -114.18 91.78 3.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -38.39 -47.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.07 138.79 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -96.35 125.81 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 t -125.97 120.12 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.3 131.13 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -178.76 2.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 t -50.04 136.11 19.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.6 p -89.09 163.15 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.467 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -159.58 122.18 3.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -71.06 -52.35 20.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.9 -176.32 27.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -156.99 171.35 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -158.35 176.41 12.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 -171.35 24.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -148.96 157.47 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -149.62 120.1 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.78 -46.98 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p 42.89 50.33 5.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -38.38 146.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -144.03 166.37 25.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -134.17 119.63 19.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.89 103.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.84 118.2 36.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.67 121.34 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.06 82.26 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' VAL . 33.1 m -133.35 125.28 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -114.54 -44.9 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.6 133.5 32.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -130.83 -65.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -73.43 173.68 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.6 m -101.31 81.79 2.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 26' ' ' ASN . 30.0 m -130.27 -42.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . 39.9 m-80 -67.92 147.32 52.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.8 mm -49.57 142.12 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 92' ' ' GLN . 2.3 ptm -127.2 120.49 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' H ' ' NE2' ' A' ' 95' ' ' GLN . 1.1 t70 -112.9 -169.94 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.9 m -57.65 135.63 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 45.2 t -51.46 160.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -111.4 -32.56 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' HB2' HG21 ' A' ' 86' ' ' VAL . 18.4 ttt85 -65.76 -49.86 66.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 29.8 p -98.79 -10.82 22.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.23 39.68 12.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.31 30.17 63.07 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 6.6 mmmm -100.3 -51.16 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.917 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 108.78 26.99 5.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -162.07 161.21 28.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.29 135.18 96.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.698 0.761 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 3.81 2.57 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.39 18.74 5.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.608 HG21 ' HB3' ' A' ' 82' ' ' SER . 22.0 p -117.08 173.08 6.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 111.192 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -100.99 177.44 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.16 144.22 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.164 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' HG3' HD11 ' A' ' 81' ' ' ILE . 14.8 mt-30 -109.6 146.87 34.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -73.14 137.76 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.7 t -95.14 138.06 33.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 50' ' ' TYR . 13.7 m-70 -92.19 -42.1 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.5 m-85 -34.05 -58.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.72 -39.95 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.91 15.71 53.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.65 31.88 4.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.1 p -125.43 -25.8 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.12 28.99 39.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 ttm -141.66 136.61 31.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.725 0.298 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -107.7 155.05 20.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 ' CG2' HG21 ' A' ' 65' ' ' VAL . 24.7 m -117.26 129.63 56.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.1 mp -105.72 97.78 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -81.26 98.77 8.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -122.23 108.99 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.62 -149.68 48.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -7.3 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.6 p90 -119.43 167.45 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.8 p -144.62 136.72 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.3 mmt -98.99 169.59 9.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -135.32 114.84 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -137.34 155.51 49.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.2 m -51.06 142.86 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.84 165.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -122.37 -37.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.492 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.3 mmt180 -62.92 -52.73 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.3 p -89.06 -43.49 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.28 29.79 6.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.07 42.61 8.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.8 ttm-85 -127.62 -38.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.84 -11.04 29.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 m -148.62 165.31 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.79 120.55 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.917 HD13 ' O ' ' A' ' 38' ' ' GLY . 96.5 mt -84.27 96.56 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.718 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.49 -38.34 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.608 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -134.84 108.69 10.76 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 54.0 Cg_endo -69.74 151.19 69.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.295 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.491 ' SG ' HG22 ' A' ' 86' ' ' VAL . 6.1 t -43.57 168.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.65 -5.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 33' ' ' ARG . 1.8 m -109.01 -39.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 20.7 p -108.74 -14.07 14.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 58.93 44.68 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.13 39.85 88.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -101.63 -35.99 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.338 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.99 -14.72 59.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 28' ' ' MET . 30.1 mt-30 -139.93 158.63 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.505 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -151.14 154.84 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -68.34 99.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.4 mp0 -92.31 -79.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -177.66 154.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -79.95 121.67 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.4 ttp180 -95.52 98.0 10.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -71.62 122.89 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 122.89 -119.57 3.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 86.09 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.6 p -75.36 103.85 5.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.9 t -153.93 153.77 32.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -171.18 174.68 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -155.14 175.8 13.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.24 -161.3 8.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -153.82 177.36 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -141.83 161.56 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.87 -166.61 12.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.6 mtt -145.06 174.7 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.69 148.0 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.9 146.63 50.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -158.35 145.27 17.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -92.83 154.09 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -101.97 177.45 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -130.1 168.62 16.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.35 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -107.59 -59.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' ALA . 33.0 pttt 34.57 40.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.48 68.22 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.77 137.32 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.104 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -155.77 135.87 12.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -128.92 178.43 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -154.6 118.71 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -122.82 157.3 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 m -61.88 83.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.79 141.66 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -42.41 104.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.434 ' HB ' ' CG ' ' A' ' 97' ' ' LYS . 9.1 mt -81.51 110.89 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.4 mmt -136.71 109.49 7.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.27 -178.51 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.6 m -78.79 133.73 37.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.44 146.05 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.96 -31.3 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.705 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 66.8 ttt-85 -64.18 -49.72 70.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.52 -8.38 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.9 m120 62.34 41.63 10.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.26 28.36 73.34 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -98.43 -49.4 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.873 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 102.12 24.89 8.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.462 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -150.5 155.04 38.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 26.7 mt-10 -63.57 138.08 97.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 1.98 3.91 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.66 31.98 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -128.28 169.14 14.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -95.19 178.73 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 97.3 t -145.63 151.25 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 40.2 mt-30 -110.33 133.43 53.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -70.95 115.8 10.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -71.83 133.99 45.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' TYR . 3.7 t-160 -91.24 -41.28 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.3 m-85 -35.37 -63.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' CB ' ' H ' ' A' ' 56' ' ' MET . 7.9 p -93.62 -36.38 12.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.2 18.78 56.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.88 31.07 6.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.8 t -124.38 -22.12 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.396 . . . . 0.0 110.927 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.93 32.69 39.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.41 ' H ' ' CB ' ' A' ' 51' ' ' CYS . 5.6 tpt -139.43 134.72 32.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 70' ' ' CYS . 9.7 tt0 -113.34 150.55 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.405 ' CG2' HG21 ' A' ' 65' ' ' VAL . 19.0 m -116.06 127.53 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.0 mp -102.5 101.21 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -85.95 105.18 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 61' ' ' THR . 6.4 t -133.9 110.8 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.66 -153.35 51.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.78 17.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -121.0 169.35 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' ILE . 4.3 p -145.78 136.34 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.6 mmt -98.64 174.52 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -140.67 116.96 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -140.9 149.09 41.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 m -45.72 138.18 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 6.4 t -49.87 158.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -117.99 -34.28 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.9 mmm180 -62.4 -48.2 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.6 p -94.77 -38.25 10.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.19 27.68 8.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 37.88 21.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 76' ' ' ARG . 14.4 ttm105 -120.75 -39.8 2.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.89 -14.58 11.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -154.17 164.07 39.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.59 120.66 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.873 HD13 ' O ' ' A' ' 38' ' ' GLY . 77.9 mt -83.28 97.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -50.87 -30.95 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.416 ' C ' HG22 ' A' ' 80' ' ' ILE . 1.0 OUTLIER -137.47 106.36 8.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.659 0.742 . . . . 0.0 110.819 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' CYS . 53.6 Cg_endo -69.79 133.3 25.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' PRO . 14.0 t -35.41 150.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.7 m -104.08 3.59 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 87' ' ' CYS . 1.5 t -104.11 -57.46 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.518 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.8 p -99.87 -10.98 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 64.7 48.93 2.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.57 43.89 98.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.89 -33.7 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.87 -19.84 45.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -135.42 159.08 42.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -150.72 173.02 14.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.03 108.15 18.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.477 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.1 OUTLIER -89.63 85.76 6.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 96' ' ' LYS . 3.5 ttpm? 72.9 52.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' CG ' ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -118.69 103.0 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -123.02 47.0 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 t -117.49 162.02 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 116.08 168.14 15.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 152.01 69.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.7 m -85.96 148.36 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 168.6 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -133.15 131.34 40.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -136.04 145.79 46.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.08 154.63 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.66 164.21 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 m -163.89 165.09 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.07 -161.12 34.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.1 ttp -169.07 163.57 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -58.33 134.07 56.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -126.19 -63.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 67.3 p -140.32 164.47 30.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -102.31 159.27 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -92.95 162.6 14.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -78.91 145.48 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.18 170.08 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.91 152.94 41.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -100.33 97.78 8.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.7 151.8 28.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.017 HG22 ' HG2' ' A' ' 21' ' ' LYS . 8.2 p -68.73 -15.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 46.33 46.39 13.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.017 ' HG2' HG22 ' A' ' 19' ' ' VAL . 42.5 pttt -177.22 145.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' HG3' ' C ' ' A' ' 21' ' ' LYS . 47.7 mt-10 -157.6 146.59 19.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -154.43 126.47 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -134.72 132.09 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.8 p -170.18 128.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.43 38.26 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.42 123.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.425 ' CE ' ' HG2' ' A' ' 94' ' ' LYS . 11.0 mmt -139.11 105.8 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -124.61 -175.94 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m -72.74 128.52 35.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.4 t -51.23 146.06 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -102.85 -30.42 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.665 ' CZ ' HG22 ' A' ' 85' ' ' VAL . 24.1 ttt-85 -64.56 -43.53 93.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -109.71 -4.78 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 62.01 43.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.26 33.59 87.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -104.22 -61.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.448 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 119.2 15.68 5.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' OD1' HG23 ' A' ' 80' ' ' ILE . 66.1 t30 -137.62 151.68 48.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' HB2' HG23 ' A' ' 43' ' ' THR . 38.0 mt-10 -62.66 140.32 97.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 21.57 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -160.62 37.51 0.43 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 40' ' ' GLU . 41.2 p -130.47 -176.55 4.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.817 0.342 . . . . 0.0 111.176 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -118.54 157.16 27.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -145.99 151.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.417 ' N ' ' CG2' ' A' ' 45' ' ' VAL . 7.3 mt-30 -108.57 160.02 16.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -79.06 138.53 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 79' ' ' ILE . 31.8 t -91.34 130.91 37.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -87.4 -36.37 17.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 2.9 m-85 -38.45 -64.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.24 -38.94 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.59 18.11 49.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.23 26.06 7.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.6 p -124.02 -16.96 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.01 26.76 70.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -128.54 138.09 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.67 0.272 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -114.02 151.3 32.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.446 ' CG2' HG21 ' A' ' 65' ' ' VAL . 29.6 m -116.45 130.45 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.185 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.596 ' N ' HD12 ' A' ' 59' ' ' ILE . 3.3 mp -109.94 96.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -77.93 105.13 8.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.3 t -130.28 111.3 12.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.25 -152.67 46.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.63 8.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.4 p90 -124.58 174.52 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 58' ' ' THR . 2.7 p -145.85 138.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -100.8 170.21 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -137.6 115.11 11.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 t -137.75 149.17 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.6 m -46.39 136.95 6.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.5 t -53.25 157.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -117.93 -30.09 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 17.3 mmm180 -64.33 -48.5 75.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.54 -43.01 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.31 22.94 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.45 35.02 12.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' HD11 ' A' ' 80' ' ' ILE . 12.2 ttt180 -124.49 -42.05 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.48 -0.27 23.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.2 m -149.11 152.61 36.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.55 100.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.613 HG23 ' OD1' ' A' ' 39' ' ' ASN . 17.4 mt -75.01 116.3 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.54 -38.01 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.461 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -122.48 105.14 36.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.684 0.754 . . . . 0.0 110.841 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.2 Cg_endo -69.8 132.66 23.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.6 t -35.05 152.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.665 HG22 ' CZ ' ' A' ' 33' ' ' ARG . 10.5 m -105.73 -0.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 t -103.5 -42.79 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 30.9 p -115.85 -18.34 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' CYS . 0.4 OUTLIER 66.06 50.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 64.27 40.65 98.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -103.9 -36.16 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.99 -13.35 62.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -141.57 151.33 43.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.927 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.81 178.13 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 27.6 mttp -78.35 108.05 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.569 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -113.92 88.79 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -70.76 68.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -131.11 147.18 52.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -81.54 55.85 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -132.85 147.07 52.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -67.16 149.52 51.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.83 26.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.4 t -121.79 145.32 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 m -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.447 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 p -111.06 173.02 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -170.86 171.06 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -159.34 8.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -159.07 175.68 13.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -173.07 172.36 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 163.9 30.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.0 ptm -170.03 176.97 4.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -168.96 149.77 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -167.37 164.57 15.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.5 m -151.63 134.63 15.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -166.73 158.74 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -130.91 172.17 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -148.12 161.89 40.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.7 162.64 12.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.53 89.49 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -92.03 175.01 7.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.9 86.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' ASN . 12.4 p -104.51 155.45 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.158 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 19' ' ' VAL . 2.2 p30 -91.43 133.48 35.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -140.38 168.17 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 23' ' ' PHE . 8.2 pt-20 -66.03 -35.89 81.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 12.8 m-85 -52.27 154.5 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 24' ' ' THR . 9.4 t -114.24 124.07 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.5 t -77.03 124.11 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -83.19 46.32 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mt -129.28 139.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.6 mmt -143.09 111.18 6.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -139.62 -175.06 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.8 m -76.31 126.37 30.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.0 t -42.72 165.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.71 -33.33 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -66.69 -39.0 87.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.9 p -108.95 -11.21 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 63.47 42.76 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.33 35.27 90.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -109.45 -47.42 3.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 103.0 27.42 6.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.53 152.82 40.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.94 138.79 97.32 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 6.36 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.35 34.99 1.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.491 HG21 ' HB2' ' A' ' 82' ' ' SER . 25.1 p -127.32 170.88 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -96.99 168.39 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -139.97 149.62 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.79 ' HG3' HD11 ' A' ' 81' ' ' ILE . 30.3 mt-30 -111.95 143.05 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.67 118.28 18.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.7 t -75.3 135.25 40.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' TYR . 88.8 m-70 -92.01 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.8 m-85 -32.97 -59.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.4 p -99.05 -40.29 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.73 20.02 45.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.445 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 101.99 20.0 13.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -111.26 -30.44 7.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.956 0.407 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.21 32.2 20.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.406 ' HE3' ' C ' ' A' ' 68' ' ' SER . 5.3 tpt -141.45 142.39 33.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.737 0.304 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' THR . 2.6 tp10 -119.59 156.3 30.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.483 ' CG2' HG21 ' A' ' 65' ' ' VAL . 22.5 m -122.73 124.65 43.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.4 mp -101.18 97.11 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -79.37 99.48 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' PHE . 3.1 t -125.64 119.77 28.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.98 -155.22 21.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 0.85 5.06 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.386 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 61' ' ' THR . 2.1 p90 -126.94 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 58' ' ' THR . 8.8 p -146.5 142.14 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.9 mmt -101.58 174.08 6.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -139.93 116.14 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.406 ' C ' ' HE3' ' A' ' 56' ' ' MET . 3.4 t -144.44 148.07 34.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 51.2 m -45.62 142.91 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.6 t -48.7 167.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -123.89 -38.81 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 18.9 mmm-85 -61.57 -52.78 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.92 -44.41 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 34.47 4.68 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.51 41.21 30.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -125.7 -37.58 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 115.15 -19.24 15.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.2 m -146.38 164.85 31.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -98.1 125.82 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.697 HD13 ' O ' ' A' ' 38' ' ' GLY . 68.6 mt -91.56 104.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.79 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -59.57 -35.88 61.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.491 ' HB2' HG21 ' A' ' 43' ' ' THR . 1.6 m -129.56 108.1 17.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.29 50.48 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 13.3 t -46.9 150.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.85 -0.93 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -102.79 -42.32 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.3 p -110.91 -12.91 14.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER 63.16 43.71 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.06 41.43 81.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -111.23 -35.51 5.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.74 -19.41 54.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -122.46 152.82 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -160.03 -177.88 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -90.21 110.93 21.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.549 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -115.34 92.27 3.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -48.23 -43.88 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.8 141.61 28.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 70.76 41.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.5 p -115.18 82.2 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.87 111.85 3.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 82.73 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.322 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -76.67 -42.78 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m 56.43 50.67 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.455 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -155.4 173.94 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -169.49 175.32 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.21 135.25 3.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.4 p -173.02 168.67 4.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -167.78 163.45 14.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 -170.06 36.77 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ptm -165.13 151.57 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -150.12 171.25 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 11' ' ' THR . 2.0 pp -152.66 167.37 29.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 10' ' ' LEU . 9.7 t -56.62 154.8 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -163.8 163.44 23.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -165.24 153.53 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -156.71 142.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.57 138.66 53.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.58 127.6 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -149.17 176.18 10.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.13 166.68 37.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.8 t -143.92 151.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -64.62 175.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -128.0 -42.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' LYS . 17.7 mt-10 -34.3 137.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -145.08 178.58 7.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 26' ' ' ASN . 23.7 m -128.71 139.7 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.0 m -46.12 -33.9 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' H ' HG22 ' A' ' 24' ' ' THR . 25.6 m120 -97.32 175.72 6.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 97' ' ' LYS . 15.5 mt -80.67 108.67 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.453 ' HA ' ' CE ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -136.85 110.59 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.31 -174.44 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.9 m -72.85 140.68 47.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 49.4 t -52.94 150.03 5.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -105.35 -23.98 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -75.32 -51.3 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.7 p -96.71 -11.62 24.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 63.15 42.33 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.22 19.19 78.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -86.47 -53.8 4.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.2 13.31 17.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.723 ' HB3' HD13 ' A' ' 80' ' ' ILE . 17.5 p-10 -146.89 170.14 17.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 44.8 mm-40 -68.3 139.95 92.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.505 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 54.2 Cg_endo -69.74 14.61 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -157.73 41.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 40' ' ' GLU . 36.7 p -132.84 -175.59 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -117.6 157.72 25.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -145.98 148.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 12.6 mt-30 -108.47 164.9 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -91.89 131.7 37.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HA ' HD11 ' A' ' 79' ' ' ILE . 34.6 t -82.74 124.31 30.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 m80 -82.56 -38.74 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -35.81 -61.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.1 p -95.39 -38.79 10.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.61 17.49 56.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' A' ' 77' ' ' GLY . . . 103.78 25.77 7.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.0 p -121.93 -16.73 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 71.71 28.87 68.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.9 tpt -131.58 136.76 48.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 58' ' ' THR . 10.1 tt0 -117.72 160.46 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 10.4 m -127.11 125.47 41.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.665 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.6 mp -99.83 128.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -98.43 97.62 8.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 t -126.15 118.18 24.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 55.92 -158.68 8.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.437 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -122.04 178.29 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 59' ' ' ILE . 91.8 t -143.33 141.06 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 11.2 mmt -102.39 174.0 6.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -141.34 114.67 8.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 t -143.73 149.86 37.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 m -46.07 142.5 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.07 168.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -125.65 -37.38 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 11.9 mmm180 -59.03 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.8 p -98.18 -40.25 8.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.1 33.26 6.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.54 41.62 15.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -122.4 -40.22 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' CA ' ' HA2' ' A' ' 53' ' ' GLY . . . 107.88 -10.18 37.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 m -151.75 149.13 28.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.1 mp -93.3 99.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 39' ' ' ASN . 69.7 mt -82.03 101.71 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.9 mp -47.7 -36.09 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.472 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.9 OUTLIER -130.3 96.91 23.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.696 0.76 . . . . 0.0 110.844 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.6 Cg_endo -69.76 139.0 39.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.737 2.292 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.7 t -36.64 143.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.85 4.95 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.7 -47.56 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 26.5 p -112.72 9.93 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 41.78 43.55 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.21 36.57 90.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -95.08 -31.27 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.12 -19.49 52.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.504 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -127.53 164.65 21.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 0.0 110.938 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -153.14 164.51 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 77.87 7.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -44.67 148.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 95' ' ' GLN . 5.5 mtpm? -33.31 122.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -97.75 151.02 20.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -97.87 -41.87 7.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 37.5 p -151.71 155.29 38.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.03 120.33 3.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.84 54.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.62 2.213 . . . . 0.0 112.317 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.7 p -157.98 133.1 8.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 95.6 p -101.5 -49.8 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.492 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -145.0 175.13 10.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -127.93 170.66 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.34 166.81 24.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -168.08 141.83 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -171.16 147.35 2.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.61 115.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 tpt -159.89 114.76 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 11' ' ' THR . 27.1 mt-10 -132.38 -41.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 4.5 mm? -36.34 108.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 9' ' ' GLU . 12.4 p -130.14 142.53 50.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 11' ' ' THR . 35.5 m-85 -166.45 165.72 16.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 62.8 m-80 -162.22 145.77 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -168.57 176.15 5.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -126.3 -179.2 4.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.75 175.29 9.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -130.14 -179.8 5.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.71 -159.85 33.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.3 m -140.77 174.32 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -110.73 118.33 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 7.2 tppt? -147.44 151.52 36.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' LYS . 9.1 pt-20 -35.97 133.82 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 21' ' ' LYS . 24.6 m-85 -145.33 138.01 26.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' VAL . 25.8 m -53.55 145.14 15.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' THR . 7.4 p -33.63 128.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.26 165.71 24.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 97' ' ' LYS . 2.7 mt -53.95 145.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt -123.64 103.88 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' HB3' ' CG ' ' A' ' 95' ' ' GLN . 4.3 t0 -139.35 -174.86 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -53.42 130.81 36.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.666 ' HA ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 t -44.42 161.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -114.48 -35.58 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -65.93 -44.56 84.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.26 -10.25 19.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.3 m120 62.02 37.13 15.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.44 30.7 58.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -101.3 -51.83 3.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.75 16.76 14.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -144.73 153.52 41.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 43' ' ' THR . 28.9 mt-10 -64.1 138.29 97.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 4.65 2.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.09 31.67 2.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.617 HG21 ' CB ' ' A' ' 82' ' ' SER . 18.0 p -121.68 171.99 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.763 ' HG3' HD13 ' A' ' 81' ' ' ILE . 9.9 ptmm? -95.24 169.11 10.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 88.5 t -144.95 146.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.16 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.646 ' HG3' HD11 ' A' ' 81' ' ' ILE . 25.9 mt-30 -112.67 134.87 53.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -62.15 126.88 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.3 t -84.74 149.27 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 37.5 t60 -99.82 -44.81 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 5.4 m-85 -34.5 -61.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.8 p -94.28 -38.27 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.1 20.08 47.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.541 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.55 34.91 5.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.8 p -126.94 -29.87 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.05 26.53 28.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.6 tpt -139.18 135.07 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -112.87 150.22 32.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HG11 ' A' ' 65' ' ' VAL . 18.5 m -115.96 125.5 52.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.1 mp -103.04 115.9 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -88.42 99.79 12.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 115.32 18.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.11 -156.07 11.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.41 3.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -125.33 175.09 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 59' ' ' ILE . 60.5 t -142.06 142.51 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.81 171.74 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.2 mmt-85 -137.93 113.95 9.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -139.74 156.35 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -58.47 135.45 57.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.5 t -44.88 163.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -118.69 -36.53 3.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 21.7 mmm180 -64.01 -49.97 70.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.47 -42.3 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.26 31.09 6.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.44 34.55 28.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -119.7 -36.52 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.28 -16.56 19.8 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.485 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 22.4 m -146.11 166.97 24.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.82 115.85 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.62 110.81 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.763 HD13 ' HG3' ' A' ' 44' ' ' LYS . 5.2 mp -69.6 -31.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.617 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.8 m -131.55 105.2 14.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' CYS . 54.1 Cg_endo -69.77 140.65 43.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.256 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' PRO . 12.8 t -36.1 152.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.9 m -105.24 2.77 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -110.08 -51.36 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 31.3 p -101.62 -14.86 17.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.2 mmm-85 64.42 46.62 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.25 36.94 92.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -99.98 -38.78 8.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 -19.07 38.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -119.83 166.37 13.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.666 ' HB3' ' HA ' ' A' ' 31' ' ' CYS . . . -172.7 172.05 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -71.24 106.63 3.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.497 ' CG ' ' HB3' ' A' ' 29' ' ' ASP . 2.4 mm-40 -93.87 144.39 25.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -32.67 148.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 27' ' ' ILE . 51.4 mtmt -82.91 121.71 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -144.24 157.4 44.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -66.74 125.7 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.97 122.16 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -172.93 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 t -125.71 170.47 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -170.78 151.38 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -151.81 175.55 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -152.3 177.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 162.23 23.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -173.67 152.37 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -173.1 162.06 4.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.12 135.12 2.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 ptm -174.1 138.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -154.02 155.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -170.19 133.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.0 m -165.63 139.11 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.65 146.62 21.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -170.59 128.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -109.94 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.2 141.02 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.54 -49.55 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -99.72 -46.51 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.63 68.35 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.32 -59.2 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' LYS . 20.3 p-10 -134.6 48.77 2.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' C ' ' O ' ' A' ' 20' ' ' ASN . 17.4 pttm 32.65 41.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.84 -40.76 83.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -55.07 -49.24 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 p -110.95 123.05 49.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 27' ' ' ILE . 86.4 t -71.84 139.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -127.07 48.21 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 27' ' ' ILE . 49.0 mt -77.62 98.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mmt -128.98 113.37 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -123.9 -177.72 3.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.7 m -75.97 137.86 40.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -50.2 150.45 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.42 -32.3 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.7 ttt85 -65.78 -45.17 83.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.44 -9.79 19.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 62.35 41.94 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.2 32.82 68.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -103.25 -54.93 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.5 14.92 11.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . 9.0 p-10 -139.15 156.01 47.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 23.2 mm-40 -63.39 139.1 97.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.693 0.758 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 15.95 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . -158.82 40.36 0.5 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' ' 82' ' ' SER . 33.7 p -131.6 -177.94 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -113.9 154.88 26.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' HA ' HD12 ' A' ' 81' ' ' ILE . 1.7 p -146.74 141.62 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' HG3' HD11 ' A' ' 81' ' ' ILE . 6.8 mt-30 -107.16 156.62 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 48' ' ' CYS . 64.3 t60 -76.19 145.11 40.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 47.3 t -95.27 151.34 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' TYR . 9.3 t-160 -107.84 -38.69 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.544 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.6 m-85 -36.78 -59.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 56' ' ' MET . 15.0 p -96.56 -39.89 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.45 17.37 46.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.29 -15.9 30.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.0 p -78.42 -17.13 56.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.35 0.15 82.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 51' ' ' CYS . 29.7 mmm -115.85 143.99 44.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.312 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 58' ' ' THR . 11.2 tt0 -105.78 160.49 15.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 65' ' ' VAL . 12.8 m -119.99 130.88 54.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' HG23 ' A' ' 65' ' ' VAL . 4.7 mp -111.52 96.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -76.52 100.39 5.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -125.26 116.75 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.58 -154.27 35.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HD1' ' HE2' ' A' ' 66' ' ' MET . 3.6 p90 -131.96 177.44 7.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.531 HG21 ' CG2' ' A' ' 58' ' ' THR . 10.0 p -144.04 141.04 25.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.405 ' HE2' ' HD1' ' A' ' 64' ' ' PHE . 5.3 mmt -100.72 173.95 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -133.92 127.22 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -154.18 147.08 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 1.5 m -40.83 157.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.441 ' SG ' ' CB ' ' A' ' 50' ' ' TYR . 19.2 t -66.23 166.24 12.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.3 -35.09 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.544 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 37.6 mmt180 -70.39 -57.55 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.5 p -87.96 -47.1 8.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.15 27.11 7.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.29 45.64 4.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HD3' HD11 ' A' ' 80' ' ' ILE . 13.0 ttm105 -130.52 -38.35 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.08 -8.04 44.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 m -154.38 152.42 30.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.47 100.29 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.549 HD11 ' HD3' ' A' ' 76' ' ' ARG . 45.9 mt -77.94 97.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -47.48 -31.71 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.547 ' CB ' HG21 ' A' ' 43' ' ' THR . 35.7 t -131.58 97.29 19.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.66 0.743 . . . . 0.0 110.858 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 82' ' ' SER . 53.7 Cg_endo -69.83 136.82 33.78 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' PRO . 7.6 t -36.22 152.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.439 HG22 ' OE2' ' A' ' 40' ' ' GLU . 34.4 m -106.89 -4.25 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -97.61 -50.46 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.09 -14.35 15.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 61.96 46.23 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.23 39.61 94.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.16 -38.27 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.83 3.85 62.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -143.83 144.66 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.531 ' C ' ' NE2' ' A' ' 95' ' ' GLN . . . -147.53 165.35 30.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.544 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 53.1 mttm -74.78 100.42 4.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 95' ' ' GLN . 0.0 OUTLIER -106.69 116.68 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -82.5 43.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.13 106.49 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -44.77 121.03 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.4 t -108.04 -55.36 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.8 -166.78 21.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 130.71 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.287 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.5 t -97.98 102.76 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m -96.92 82.42 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.482 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -157.36 164.19 37.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.7 p -171.56 175.93 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.42 150.16 5.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -173.94 175.23 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -170.12 178.02 4.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.8 151.8 21.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.83 161.05 3.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -173.33 171.94 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.5 mt -152.6 179.77 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -130.33 174.6 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -162.74 173.55 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -159.74 172.52 17.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -154.52 143.17 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.08 161.55 35.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 144.78 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -115.07 -63.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.84 -163.06 12.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.6 p -172.72 120.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -128.05 174.99 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' N ' HD22 ' A' ' 20' ' ' ASN . 12.1 mmmt -142.65 147.52 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -128.29 87.4 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -134.84 62.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.719 HG21 ' HG3' ' A' ' 28' ' ' MET . 55.5 m -122.49 152.94 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -90.95 -66.28 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -51.68 151.05 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 95' ' ' GLN . 46.9 mm -45.18 121.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.719 ' HG3' HG21 ' A' ' 24' ' ' THR . 3.5 mmt -142.61 112.75 7.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -129.4 179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.0 m -79.61 135.53 36.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' CG1' ' A' ' 86' ' ' VAL . 35.2 t -48.65 159.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -112.4 -30.04 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' NH1' ' CG ' ' A' ' 41' ' ' PRO . 3.6 ttt-85 -71.61 -53.54 13.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -91.18 -11.03 39.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 63.16 44.23 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.92 30.25 72.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -99.6 -59.47 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 89' ' ' GLY . . . 117.28 7.12 12.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB3' HD13 ' A' ' 80' ' ' ILE . 20.6 p-10 -141.44 161.66 37.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.95 139.95 97.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.526 ' CG ' ' NH1' ' A' ' 33' ' ' ARG . 53.6 Cg_endo -69.74 8.61 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.72 2.28 . . . . 0.0 112.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.78 30.33 2.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.535 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.79 HG21 ' CB ' ' A' ' 82' ' ' SER . 24.8 p -131.66 166.72 20.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -101.63 -178.4 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 78' ' ' SER . 97.4 t -145.29 144.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.844 ' HG3' HD11 ' A' ' 81' ' ' ILE . 18.8 mt-30 -117.47 115.31 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' GLN . 72.7 t60 -36.9 146.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 51.6 t -104.8 149.28 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' TYR . 83.6 m-70 -102.32 -44.14 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.631 ' CD1' ' CG ' ' A' ' 72' ' ' ARG . 2.5 m-85 -33.63 -55.32 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.8 p -104.35 -40.29 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.05 21.84 56.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.73 14.31 25.55 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.4 p -115.39 -10.14 12.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.75 36.64 55.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.552 ' HE1' ' N ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -137.89 132.03 31.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.71 0.291 . . . . 0.0 110.862 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -113.55 149.33 34.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -120.21 126.33 50.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.943 HD11 ' OG ' ' A' ' 68' ' ' SER . 3.4 mp -101.88 96.47 4.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -84.2 96.87 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.76 120.1 34.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.05 -154.02 24.87 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.05 3.0 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -128.18 171.23 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 140.91 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.5 mmt -103.32 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -132.34 116.11 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.943 ' OG ' HD11 ' A' ' 59' ' ' ILE . 89.0 p -139.3 151.55 46.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 m -61.67 152.75 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 46.2 t -47.54 158.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -115.09 -37.69 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.631 ' CG ' ' CD1' ' A' ' 50' ' ' TYR . 19.4 mmt180 -61.9 -59.46 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.75 -46.5 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.03 30.96 5.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.16 43.16 7.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -123.32 -32.26 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.74 -10.97 41.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.441 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 74.0 m -157.92 168.74 26.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 48' ' ' CYS . 5.2 mp -95.06 102.52 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 39' ' ' ASN . 87.2 mt -78.01 94.13 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -45.9 -34.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.79 ' CB ' HG21 ' A' ' 43' ' ' THR . 1.9 m -133.37 97.48 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.68 0.752 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HA ' HG21 ' A' ' 80' ' ' ILE . 53.3 Cg_endo -69.74 137.61 35.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.9 t -37.53 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -108.85 7.26 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' CG1' ' SG ' ' A' ' 31' ' ' CYS . 1.5 t -109.89 -45.57 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 28.7 p -112.02 -13.44 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER 63.57 50.05 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 38' ' ' GLY . . . 63.6 40.66 98.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -104.12 -35.24 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.34 -13.97 63.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -146.4 144.87 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.6 -174.99 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.84 105.07 15.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.649 ' O ' HG21 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -96.98 85.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -122.52 162.25 22.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -74.59 151.47 39.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -78.91 46.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.0 t -104.38 93.78 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.26 118.5 2.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.71 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.3 m -135.72 164.75 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -47.29 -52.95 14.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.505 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -82.64 146.36 29.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -172.72 174.6 3.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.57 145.31 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -158.38 172.93 17.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -158.87 149.85 20.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.14 132.34 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.0 mmm -132.55 115.13 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.13 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -124.76 133.44 53.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.3 m -97.84 -48.06 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 63.46 41.28 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -127.27 122.2 33.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -127.47 85.17 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.65 49.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.21 42.31 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -102.79 -43.94 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . 81.85 77.49 1.04 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 19' ' ' VAL . 33.0 m -34.45 124.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -117.31 42.31 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -146.78 119.41 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 21' ' ' LYS . 29.8 mt-10 -34.08 -53.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -41.65 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 22' ' ' GLU . 32.2 p -96.89 172.47 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.49 145.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -98.26 171.99 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mt -70.34 123.55 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.0 mtp -141.35 104.89 4.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.27 176.18 6.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.6 m -64.89 131.01 45.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 86' ' ' VAL . 41.8 t -41.78 162.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -112.81 -38.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.677 ' CD ' HG22 ' A' ' 85' ' ' VAL . 18.5 ttt85 -64.51 -55.16 22.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -89.7 -12.92 38.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 63.54 41.17 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.9 31.63 64.4 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 26.4 mmmt -101.61 -52.0 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.843 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.9 27.75 5.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -159.41 157.46 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 85' ' ' VAL . 36.3 mt-10 -62.73 139.0 97.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.669 0.747 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.89 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.04 10.75 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' ' 82' ' ' SER . 9.2 p -102.35 138.36 39.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 111.183 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 171.3 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -144.36 144.69 22.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.761 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -109.46 150.69 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -80.85 128.46 33.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.77 153.49 25.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' TYR . 14.4 t60 -110.6 -43.48 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 3.3 m-85 -34.11 -61.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.7 -39.6 11.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.28 21.34 41.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.88 27.93 8.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -122.12 -24.57 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.21 34.9 39.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.7 tpt -142.7 133.6 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -107.6 155.2 20.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 HG21 ' A' ' 65' ' ' VAL . 10.6 m -122.71 126.68 48.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 65' ' ' VAL . 5.0 mp -108.11 97.82 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -80.21 97.96 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -119.69 111.3 17.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.81 -148.82 50.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -122.64 175.04 6.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -145.16 138.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.43 172.96 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.3 mmm-85 -137.1 118.55 14.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 t -142.32 150.95 41.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.6 m -53.94 141.22 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 9.8 t -52.53 149.73 5.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -108.4 -35.32 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 25.4 mmt180 -60.33 -50.08 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -96.34 -41.56 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.15 34.29 5.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.08 42.88 23.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 15.6 ttm-85 -128.33 -36.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.81 -10.66 48.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.54 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -144.73 157.17 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -93.58 121.76 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 38' ' ' GLY . 85.1 mt -87.21 97.78 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.2 mp -48.44 -38.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 2.9 m -137.12 109.15 8.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.673 0.749 . . . . 0.0 110.822 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' CYS . 53.9 Cg_endo -69.76 156.19 63.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.554 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.1 t -47.27 176.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.677 HG22 ' CD ' ' A' ' 33' ' ' ARG . 24.0 m -122.69 -8.21 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG22 ' SG ' ' A' ' 84' ' ' CYS . 22.6 m -107.63 -40.95 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 90' ' ' ALA . 14.6 p -112.64 6.49 18.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' CYS . 5.1 mmt85 36.36 42.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.27 36.58 55.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 87' ' ' CYS . . . -97.01 -28.65 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.54 -9.01 78.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -144.09 152.06 40.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -141.65 177.56 8.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -87.8 86.17 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.3 mp0 -79.52 -51.48 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 97' ' ' LYS . 4.6 tppp? -121.45 150.0 42.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.5 ttmm -132.76 151.62 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' NH2' ' H ' ' A' ' 104' ' ' GLY . 30.9 mtm180 -118.91 137.33 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.8 t -121.06 45.88 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.0 179.59 30.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.18 4.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.1 t -76.24 89.04 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -97.83 125.98 42.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.405 ' H ' ' NH2' ' A' ' 98' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p 40.68 49.79 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.375 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 p -75.58 -36.55 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.53 172.87 5.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -165.58 165.8 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -174.08 174.29 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.9 172.07 44.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.5 mtp -163.99 146.83 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -143.29 170.65 15.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.9 mt -147.17 170.7 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 m -163.95 131.46 3.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -150.36 149.72 30.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -172.03 171.17 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -156.96 179.6 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.56 153.04 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.92 160.94 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -160.13 -179.98 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.76 116.73 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.93 155.11 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -155.72 125.22 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -129.28 151.39 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -117.86 90.9 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -113.24 126.56 55.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p -129.17 170.41 13.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 p -123.55 -30.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.98 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.9 135.86 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 78.1 mmm -136.68 105.99 6.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -101.55 -176.5 3.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m -78.03 131.33 37.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.0 t -48.01 152.01 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -106.54 -30.39 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 86' ' ' VAL . 36.9 ttt85 -68.38 -44.69 74.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -104.8 -8.49 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m120 61.51 39.02 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.93 32.94 69.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -103.97 -50.68 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.902 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 107.53 26.4 5.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.452 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -153.85 156.56 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HB2' HG23 ' A' ' 43' ' ' THR . 20.6 mt-10 -66.09 138.74 96.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.675 0.75 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 3.28 2.86 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -136.79 33.02 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.604 HG21 ' CB ' ' A' ' 82' ' ' SER . 22.2 p -124.77 -176.77 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG3' HD13 ' A' ' 81' ' ' ILE . 40.3 pttt -107.95 171.9 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.83 142.55 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.927 ' HG3' HD11 ' A' ' 81' ' ' ILE . 33.0 mt-30 -110.6 126.9 54.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -58.38 124.08 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -80.35 154.7 27.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' TYR . 36.6 t60 -110.44 -41.41 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.9 m-85 -36.87 -63.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -90.06 -35.83 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.86 17.02 58.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.63 30.58 6.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.4 p -122.53 -27.25 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.51 31.08 22.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.435 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 6.4 ttm -151.17 139.7 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.735 0.302 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -112.41 147.48 36.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CG2' ' A' ' 65' ' ' VAL . 11.6 m -107.9 134.96 50.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.14 94.23 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.17 96.2 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -117.14 119.23 34.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.49 -153.63 43.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.77 0.76 5.18 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -127.32 160.83 30.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' CG2' ' CG2' ' A' ' 58' ' ' THR . 5.3 p -122.65 124.51 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.729 ' SD ' ' N ' ' A' ' 66' ' ' MET . 1.0 OUTLIER -90.7 168.36 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -144.33 115.04 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -133.69 152.08 51.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.6 m -47.14 142.58 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.8 t -52.63 167.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -124.41 -34.06 2.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.59 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 20.3 mmt85 -67.0 -51.68 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.84 -44.16 9.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.46 29.92 5.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.66 37.02 21.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -120.18 -40.28 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.3 -20.43 8.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 m -147.8 167.56 24.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -94.59 106.52 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.902 HD13 ' O ' ' A' ' 38' ' ' GLY . 66.4 mt -76.9 95.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.927 HD11 ' HG3' ' A' ' 46' ' ' GLN . 5.3 mp -50.24 -37.07 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.604 ' CB ' HG21 ' A' ' 43' ' ' THR . 3.1 m -126.78 105.56 23.1 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.683 0.754 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 138.68 38.28 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -42.0 151.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.7 m -105.56 4.61 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.535 HG23 ' HD2' ' A' ' 33' ' ' ARG . 1.6 t -105.37 -54.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.45 ' N ' HG12 ' A' ' 86' ' ' VAL . 29.3 p -102.45 -11.55 18.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 4.3 mmm180 64.88 48.31 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.98 44.79 97.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.39 -31.1 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.82 -17.01 57.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -134.2 161.91 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' O ' ' NE2' ' A' ' 95' ' ' GLN . . . -150.76 179.33 8.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -90.94 103.29 16.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 93' ' ' ALA . 2.8 mp0 -98.64 -52.21 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -114.98 164.98 13.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -121.68 149.15 43.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -121.07 -65.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.408 ' C ' ' HD2' ' A' ' 101' ' ' PRO . 31.0 t -107.37 -62.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.3 -75.16 0.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' HD2' ' C ' ' A' ' 99' ' ' SER . 53.7 Cg_endo -69.77 135.5 30.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.2 m -143.7 163.35 33.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.1 t -111.01 156.02 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -162.6 135.73 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -170.52 150.74 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.7 120.74 0.54 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -142.63 131.15 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -151.36 166.06 32.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.57 119.87 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 ttt -163.32 164.31 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.31 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -154.8 145.12 22.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.2 mt -139.53 178.37 7.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -146.3 164.52 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' A' ' 13' ' ' ASN . 36.4 t80 -128.72 161.8 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.436 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 60.9 t30 -143.64 172.28 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -169.76 140.8 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.11 174.46 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.73 141.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.93 163.98 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.58 55.81 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -106.72 126.71 62.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -174.31 178.0 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? 38.91 41.18 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -65.79 128.87 37.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -124.67 135.09 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.545 ' HA ' HD11 ' A' ' 27' ' ' ILE . 2.0 m -114.03 44.31 1.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -124.73 141.46 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 54.81 34.15 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.545 HD11 ' HA ' ' A' ' 24' ' ' THR . 21.1 mt -65.38 84.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' O ' ' A' ' 27' ' ' ILE . 82.8 mmm -136.18 112.52 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -127.21 174.48 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m -53.73 128.61 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.2 t -46.2 163.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -114.25 -39.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.68 ' HD3' HG22 ' A' ' 85' ' ' VAL . 26.0 ttt85 -62.64 -49.5 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 31.1 p -96.17 -11.61 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 29.8 m120 64.27 40.22 6.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.3 30.41 62.72 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' O ' ' NH2' ' A' ' 76' ' ' ARG . 3.6 mmmm -101.24 -55.85 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 80' ' ' ILE . . . 112.83 15.01 9.63 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -145.93 156.59 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' CD ' HG13 ' A' ' 85' ' ' VAL . 3.8 mm-40 -62.45 136.79 96.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.666 0.746 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 6.11 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.26 16.55 7.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 82' ' ' SER . 63.4 p -125.99 178.65 5.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -114.02 -178.13 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 78' ' ' SER . 17.1 t -145.39 146.73 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.765 ' HG3' HD11 ' A' ' 81' ' ' ILE . 22.8 mt-30 -110.4 145.07 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.52 139.78 57.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 79' ' ' ILE . 49.5 t -92.74 161.91 14.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' TYR . 8.1 t-80 -115.52 -47.06 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.589 ' CD1' ' HG3' ' A' ' 72' ' ' ARG . 4.0 m-85 -33.5 -61.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 p -91.87 -37.3 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.83 19.82 46.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.44 39.47 3.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -38.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HA2' ' A' ' 75' ' ' GLY . . . 97.67 22.04 17.34 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.97 136.59 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.75 150.27 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.43 ' CG2' HG21 ' A' ' 65' ' ' VAL . 11.4 m -118.79 124.15 46.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.94 96.16 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -80.73 101.2 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 64' ' ' PHE . 1.9 t -126.22 107.62 10.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.41 -154.4 52.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 61' ' ' THR . 2.8 p90 -129.6 167.79 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 58' ' ' THR . 6.6 p -141.58 141.77 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.7 mmt -103.15 171.67 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -138.48 116.6 11.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 t -141.34 154.71 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.5 m -58.55 134.12 56.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.0 t -44.6 151.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -107.6 -34.86 6.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HG3' ' CD1' ' A' ' 50' ' ' TYR . 28.0 mmt180 -64.14 -54.83 27.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.2 p -89.82 -40.74 12.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.59 31.82 6.57 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.456 ' HA2' ' CA ' ' A' ' 55' ' ' GLY . . . 78.37 44.49 11.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH2' ' O ' ' A' ' 37' ' ' LYS . 10.8 ttm-85 -131.55 -33.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.72 -10.45 38.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 45' ' ' VAL . 65.6 m -146.42 160.66 41.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 48' ' ' CYS . 5.3 mp -93.91 115.52 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 38' ' ' GLY . 90.0 mt -82.8 100.39 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 ' HG3' ' A' ' 46' ' ' GLN . 4.9 mp -52.45 -38.21 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.424 ' HB3' HG21 ' A' ' 43' ' ' THR . 0.5 OUTLIER -139.9 112.3 7.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 0.0 110.881 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 154.46 67.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.53 ' SG ' HG22 ' A' ' 86' ' ' VAL . 4.6 t -46.09 172.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.68 HG22 ' HD3' ' A' ' 33' ' ' ARG . 32.6 m -118.29 -9.96 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG22 ' SG ' ' A' ' 84' ' ' CYS . 15.4 m -108.04 -34.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 90' ' ' ALA . 18.8 p -114.92 -5.67 12.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.7 mmt85 51.22 30.74 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.42 34.58 16.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 87' ' ' CYS . . . -93.1 -30.77 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.88 -10.24 74.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -148.58 137.82 21.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' C ' HE21 ' A' ' 95' ' ' GLN . . . -127.95 -173.02 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.512 ' C ' ' NE2' ' A' ' 95' ' ' GLN . 15.5 mtpp -87.42 88.18 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.512 ' NE2' ' C ' ' A' ' 94' ' ' LYS . 2.9 mm-40 -98.57 147.57 24.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -52.53 97.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 104.5 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -64.16 -52.42 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -149.94 121.2 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.58 118.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.08 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 p -169.89 -175.92 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.8 p -105.22 179.87 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_