data_2cof_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 2cof _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 ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 99' ' ' GLU . 33.2 m120 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.745 0.307 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 20.0 m-70 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.468 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 28.8 m120 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.1 m-70 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.518 ' CD2' HD13 ' A' ' 14' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.471 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' CH2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.418 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CH2' HD13 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.701 0.286 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.545 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' C ' HG21 ' A' ' 71' ' ' ILE . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.415 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.414 HG21 ' C ' ' A' ' 56' ' ' GLU . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 93' ' ' LEU . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' CE ' ' A' ' 89' ' ' MET . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CB ' HG22 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 81' ' ' LEU . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 33.5 m120 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 99' ' ' GLU . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.3 m-70 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' C ' HD21 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.427 ' CD ' ' HG2' ' A' ' 84' ' ' LYS . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CB ' HD12 ' A' ' 52' ' ' LEU . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CE2' HD11 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.453 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.462 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.9 m120 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.715 0.293 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 21.9 t-160 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.451 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' HD12 ' A' ' 93' ' ' LEU . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD12 ' CE ' ' A' ' 89' ' ' MET . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.417 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.437 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 57' ' ' VAL . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' VAL . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.459 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.407 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 27.8 m120 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.579 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.3 m-70 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.562 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.603 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' NE2' ' NH1' ' A' ' 25' ' ' ARG . 4.0 mm-40 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.603 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.689 0.281 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.3 m-70 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CE1' ' O ' ' A' ' 54' ' ' GLY . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.5 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.933 0.396 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' CZ2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.413 ' CE2' HD11 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.461 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 5.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 99' ' ' GLU . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD13 ' CE ' ' A' ' 89' ' ' MET . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.489 HD22 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.471 ' CB ' HD13 ' A' ' 52' ' ' LEU . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.554 ' CZ3' ' CB ' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.465 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.452 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.3 m120 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.75 0.309 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 27.3 m-70 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 16.6 t-160 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.409 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.554 ' CB ' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CH2' ' SG ' ' A' ' 27' ' ' CYS . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.519 HD22 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 HD11 ' CE2' ' A' ' 22' ' ' TRP . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 18' ' ' VAL . 8.4 p30 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m120 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.71 0.29 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.519 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 99' ' ' GLU . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.4 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HE3' ' A' ' 74' ' ' LYS . 14.8 t-160 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 73' ' ' HIS . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' CD ' ' HG2' ' A' ' 84' ' ' LYS . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.519 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 52' ' ' LEU . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' C ' HG23 ' A' ' 18' ' ' VAL . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 17' ' ' LEU . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.51 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG12 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.5 m120 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LEU . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 35' ' ' HIS . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 12.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' HB3' ' CG ' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.45 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.431 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.6 m-70 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' CD2' HG13 ' A' ' 57' ' ' VAL . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.515 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.432 ' CD ' HG12 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.935 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 100' ' ' SER . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 2.3 m80 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.475 ' CB ' HD22 ' A' ' 78' ' ' LEU . 42.1 t-80 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 85' ' ' SER . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 ' CE2' ' A' ' 92' ' ' TRP . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD11 ' C ' ' A' ' 21' ' ' GLN . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' C ' HD11 ' A' ' 17' ' ' LEU . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.454 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.455 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.529 ' CE3' HD22 ' A' ' 95' ' ' LEU . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 34.0 m120 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.745 0.307 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 93' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 30.6 m170 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.464 ' CB ' HD23 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' C ' HD22 ' A' ' 78' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 81' ' ' LEU . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.51 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 57' ' ' VAL . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.571 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.0 m120 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.752 0.311 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 93' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 25.3 m-70 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 54' ' ' GLY . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CH2' ' SG ' ' A' ' 27' ' ' CYS . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 57' ' ' VAL . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.571 HD22 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.439 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.739 0.304 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.466 ' O ' ' CD ' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 6.2 m-70 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.445 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.908 0.385 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 25' ' ' ARG . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 21' ' ' GLN . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' C ' HD11 ' A' ' 17' ' ' LEU . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.464 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.5 m120 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.702 0.287 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD13 ' CB ' ' A' ' 99' ' ' GLU . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG22 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.563 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CB ' HG22 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.436 ' CB ' HD13 ' A' ' 52' ' ' LEU . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' CH2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 21' ' ' GLN . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' ND2' ' OE1' ' A' ' 99' ' ' GLU . 19.8 m120 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' HB1' ' NH1' ' A' ' 25' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' A' ' 93' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.7 m-70 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 86' ' ' SER . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.513 ' CH2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CD2' HG13 ' A' ' 57' ' ' VAL . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.424 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -82.63 102.36 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.38 91.81 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 41.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -139.24 109.28 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.33 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 54.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -102.74 -46.42 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 4.3 mp0 51.33 41.33 28.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLU . 74.7 p 34.64 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -129.89 43.12 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 m -81.35 160.46 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -75.94 133.08 40.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 99' ' ' GLU . 33.2 m120 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -119.18 -65.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.17 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -82.94 157.68 22.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' ARG . 4.2 m-20 62.29 42.98 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ASN . 71.8 mtm180 35.2 44.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -55.51 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -126.37 150.75 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.5 t -86.75 124.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.26 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 20.0 m-70 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.458 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.522 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -74.98 78.99 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 91.53 1.01 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -159.39 139.78 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.55 -153.71 16.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 t -112.93 113.29 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t 69.58 44.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.94 141.67 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -81.29 119.13 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.03 40.69 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 p -47.25 -49.96 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -42.17 155.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 109.93 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 tt -78.73 84.57 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' THR . 51.4 mm-40 -70.61 137.1 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 82.3 p -35.62 -45.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -71.17 86.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -117.12 167.13 11.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -83.22 116.36 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD13 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.468 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 28.8 m120 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.561 ' CD2' HG12 ' A' ' 45' ' ' VAL . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.0 mt-30 -107.61 44.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 39.93 25.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' GLN . 6.4 tpt180 -104.07 58.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ARG . 10.8 m120 56.55 37.78 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' HD2' ' CG ' ' A' ' 37' ' ' TYR . 22.1 mmm-85 37.51 40.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -96.43 -52.94 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -108.76 76.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 37' ' ' TYR . 7.8 m -48.96 129.91 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.31 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.1 m-70 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.518 ' CD2' HD13 ' A' ' 14' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.471 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p -75.09 171.82 13.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.23 102.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -108.14 148.47 29.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.4 -106.53 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 138.1 37.17 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -158.56 109.98 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -126.05 130.61 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -124.91 -45.91 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -100.75 177.49 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 -125.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -154.24 152.45 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -108.96 -56.04 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.77 -84.48 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp 44.4 46.19 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.47 -60.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -122.99 37.48 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 p -163.41 123.49 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t -163.5 126.43 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.73 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD13 ' CH2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD2' ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CZ ' HD13 ' A' ' 50' ' ' LEU . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -100.49 -56.4 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.98 -177.88 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.77 22.19 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.497 HD21 ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -105.87 -16.58 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.497 ' N ' HD21 ' A' ' 41' ' ' ASN . 30.5 mtt180 50.3 53.13 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -118.61 -41.36 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -110.04 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 46' ' ' ALA . 95.0 t -47.23 135.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' N ' HG11 ' A' ' 45' ' ' VAL . . . -74.88 -40.94 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.418 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.413 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CH2' HD13 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 93.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.11 97.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 t -54.4 -58.6 6.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.99 -172.42 35.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.37 3.79 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.0 p -80.7 -48.52 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.0 p -50.63 122.37 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -119.08 100.07 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -122.39 112.05 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 43.22 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -108.83 42.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -55.66 117.71 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.05 63.54 0.81 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp -120.43 118.87 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.99 179.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' SER . 23.7 m -45.05 -61.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . 89.8 p -37.58 118.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -170.04 174.38 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -97.33 105.84 18.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.573 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.487 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -112.1 -44.41 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -78.76 171.91 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.0 mtt-85 -73.26 -59.76 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ARG . 50.5 t30 -79.51 44.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' ASN . 59.9 mtt180 34.76 40.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -72.47 -39.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -126.09 116.54 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 46' ' ' ALA . 14.9 p -76.42 144.54 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -87.92 -36.49 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.545 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' C ' HG21 ' A' ' 71' ' ' ILE . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.415 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.414 HG21 ' C ' ' A' ' 56' ' ' GLU . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 93' ' ' LEU . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' CE ' ' A' ' 89' ' ' MET . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CB ' HG22 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p -47.3 -62.22 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.69 91.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t -100.15 -47.95 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.68 -74.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -14.71 36.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.4 p 44.0 44.15 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -77.26 143.07 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 56.72 44.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -101.93 136.35 41.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.08 117.05 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.36 -54.51 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -101.02 -20.72 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.56 -124.47 7.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.72 -178.49 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.727 0.299 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.81 161.58 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.4 p -47.09 -45.11 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -88.86 81.14 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -131.53 123.53 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -44.14 119.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 81' ' ' LEU . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 33.5 m120 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -109.37 -44.13 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.02 161.06 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -20.17 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 p30 -102.28 41.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 17.6 mtt85 35.77 38.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 t -46.55 -55.98 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -149.28 142.68 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ALA . 93.4 t -74.29 99.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . -34.13 -48.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 99' ' ' GLU . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.3 m-70 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.468 ' CB ' HD22 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' C ' HD21 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD1' HG23 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' CD ' ' HG2' ' A' ' 84' ' ' LYS . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.455 ' CB ' HD12 ' A' ' 52' ' ' LEU . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -72.57 81.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.53 -109.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.4 m -111.16 161.24 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.66 65.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 1.94 3.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m 62.78 40.33 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t 56.15 40.91 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -161.73 130.84 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 50.14 43.17 25.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -44.36 4.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -121.03 155.24 34.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.8 p -134.23 -44.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.63 76.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -107.47 167.99 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 8' ' ' LEU . 8.6 pt-20 -44.84 171.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 t -70.53 -24.97 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 38.3 m -70.61 88.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 m -136.16 171.29 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 -89.78 117.0 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CE2' HD11 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.456 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.9 m120 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -113.67 -64.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.4 159.89 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -65.84 153.44 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.9 m120 66.48 39.37 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 15.9 mtp180 34.28 47.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -78.15 -56.39 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -95.8 123.59 39.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 61.9 t -86.86 89.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' VAL . . . -35.26 -53.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 21.9 t-160 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.451 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.465 ' CE ' HD12 ' A' ' 93' ' ' LEU . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD12 ' CE ' ' A' ' 89' ' ' MET . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p -80.59 81.8 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.54 -114.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t 65.11 45.69 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.01 141.68 16.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -0.21 6.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -73.5 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.04 109.95 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -163.83 139.63 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -164.01 168.28 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.64 -166.6 13.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -152.55 124.06 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -81.12 107.77 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 -22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -111.29 9.89 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' LEU . 39.7 mp0 -34.25 115.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 73.1 p 35.91 46.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 t -175.68 105.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -156.83 173.33 17.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -91.17 96.89 10.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.417 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -122.44 -60.77 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 22.0 p-10 -79.14 162.55 25.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 30.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ARG . 28.8 m120 -128.34 21.75 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' ASN . 63.7 mtm-85 35.28 45.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -113.15 -63.6 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -73.38 90.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ALA . 89.0 t -72.52 97.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' VAL . . . -35.7 -41.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.437 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.558 ' CE3' HD22 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 57' ' ' VAL . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.558 HD22 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p -81.06 47.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.89 103.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -80.41 101.62 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.58 83.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 166.2 28.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.6 p -113.99 153.33 29.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.2 p -45.49 -37.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.375 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -104.34 89.64 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 70.84 43.08 59.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.0 m 35.34 41.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -162.92 133.87 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.07 65.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -108.85 115.45 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' N ' HD11 ' A' ' 8' ' ' LEU . 35.4 mt-10 -62.61 172.82 1.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -66.91 -43.65 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -79.19 96.11 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -132.55 133.17 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 -60.27 103.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' VAL . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.459 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.407 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 27.8 m120 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.65 -45.77 7.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -151.96 178.68 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . 33.8 ptt85 -36.17 -34.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ASP . 4.3 p-10 -73.05 65.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 22.4 mtm-85 -43.4 -39.72 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . 66.4 m -34.52 -42.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' C ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -84.29 54.68 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LYS . 59.4 t -37.27 135.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.42 73.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB2' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.579 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.3 m-70 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD1' HG21 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.562 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 102' ' ' SER . 50.9 p -73.64 122.17 21.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.57 93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' SER . 22.7 p -87.65 -18.25 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -170.05 172.76 43.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.0 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t 39.26 43.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.8 t -88.23 81.2 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -108.67 -48.13 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -74.73 107.21 6.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.1 77.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -73.55 94.81 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -159.82 144.7 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 163.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.98 136.74 48.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.69 175.86 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.6 p -66.06 -37.02 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -78.02 86.89 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -125.12 111.97 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -39.05 116.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' NE2' ' NH1' ' A' ' 25' ' ' ARG . 4.0 mm-40 -106.03 -51.78 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.46 171.27 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.574 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 3.7 mpt_? -72.64 -58.68 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.5 m-80 -84.42 48.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 17.8 mtp-105 36.07 46.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.5 t -72.91 -51.43 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -117.83 114.96 24.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 46' ' ' ALA . 7.4 p -61.36 150.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.603 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -92.24 -35.58 13.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.3 m-70 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.509 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.564 ' CE1' ' O ' ' A' ' 54' ' ' GLY . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.509 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.452 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.452 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' CB ' HG22 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p -55.75 -44.45 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.18 80.35 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 p -91.37 89.37 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.9 165.22 20.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -80.38 138.46 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 m -138.68 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -124.51 119.7 29.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.05 166.36 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 39.68 42.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -123.39 172.61 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 123.02 2.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 tp -126.48 126.42 43.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.305 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.32 165.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.0 p -49.06 -46.84 45.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -67.93 104.06 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 p -132.73 170.55 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.5 p90 -93.13 97.95 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 ' CZ2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' CD2' ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.413 ' CE2' HD11 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.461 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 5.6 mp0 -115.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.02 170.02 10.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.15 166.19 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ARG . 23.7 m-20 55.39 40.59 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 27.7 mtm105 34.41 52.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -64.58 -49.77 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 45' ' ' VAL . 10.5 tmtt? -137.32 148.14 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 93.2 t -97.58 119.04 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . -64.47 -48.61 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 99' ' ' GLU . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD13 ' CE ' ' A' ' 89' ' ' MET . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.489 HD22 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.471 ' CB ' HD13 ' A' ' 52' ' ' LEU . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p -77.13 48.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.38 142.74 13.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -154.62 120.9 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.72 160.11 51.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 0.89 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.302 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 m -119.35 133.93 55.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.0 t -45.21 -52.36 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 40.41 41.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.58 -57.64 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.32 67.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.27 -59.1 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -106.29 168.36 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.88 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 tp -41.38 110.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.26 166.12 11.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 p -41.13 -43.67 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -76.87 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.3 m -113.02 -175.4 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.44 96.59 8.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.554 ' CZ3' ' CB ' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.559 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.452 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.3 m120 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -111.83 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.22 -178.34 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 78.2 mtp180 -81.77 -52.27 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.3 m120 -83.0 42.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ASN . 73.1 mtt180 33.97 41.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -78.84 -49.06 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.86 91.88 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.45 145.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . . . -84.1 -35.89 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 27.3 m-70 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' CD1' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 16.6 t-160 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.409 ' O ' ' CD2' ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.554 ' CB ' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.584 ' CH2' ' SG ' ' A' ' 27' ' ' CYS . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.519 HD22 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' SER . 88.4 p -74.1 114.41 12.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.72 86.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 100' ' ' SER . 36.4 t -78.5 134.96 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.39 149.35 5.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.21 53.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p 40.71 43.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.1 t -94.59 -43.4 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -85.61 42.3 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -41.68 109.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 161.84 30.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -98.33 157.88 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -87.76 -56.75 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.22 49.95 61.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -71.84 121.88 19.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' N ' HD13 ' A' ' 8' ' ' LEU . 9.0 pt-20 -54.28 155.25 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 95' ' ' LEU . 20.0 p -52.07 -30.13 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 t -72.06 112.42 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 p -166.17 153.35 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -85.13 104.93 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD13 ' CZ2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 HD11 ' CE2' ' A' ' 22' ' ' TRP . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 18' ' ' VAL . 8.4 p30 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.485 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m120 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CE1' HG12 ' A' ' 45' ' ' VAL . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 -107.02 -63.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -82.41 176.37 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -93.55 34.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.2 m120 -131.02 29.6 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' ASN . 60.2 mtm180 33.93 42.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.5 t -127.72 152.24 47.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 55.58 47.36 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 37' ' ' TYR . 5.3 m -34.63 137.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.18 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.494 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.519 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 99' ' ' GLU . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HE3' ' A' ' 74' ' ' LYS . 14.8 t-160 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' A' ' 73' ' ' HIS . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' CD ' ' HG2' ' A' ' 84' ' ' LYS . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.519 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 10' ' ' THR . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 52' ' ' LEU . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p -74.37 108.02 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.49 112.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.1 p -89.75 42.13 1.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.5 94.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.73 2.55 3.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 t -47.76 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 104' ' ' PRO . 39.6 p -92.85 43.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 p -132.36 166.02 22.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -100.21 107.48 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 -151.7 6.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -92.89 134.39 35.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -119.49 164.03 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.61 70.47 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 tp -154.06 107.44 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' THR . 7.3 tt0 -67.26 150.11 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 71.8 p -34.02 -49.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 p -53.84 124.78 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -160.6 167.01 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER -93.1 117.57 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' C ' HG23 ' A' ' 18' ' ' VAL . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 17' ' ' LEU . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.51 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.503 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG12 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.5 m120 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' LEU . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 12.2 mt-30 -108.82 34.38 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 67.68 38.78 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.4 41.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 m120 51.38 40.54 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 11.6 mtp-105 59.37 43.38 16.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.3 m -121.58 -42.3 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -107.85 75.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 36' ' ' PHE . 11.6 p -49.39 143.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' N ' HG21 ' A' ' 45' ' ' VAL . . . -98.1 -32.78 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.545 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.515 ' CG2' ' CB ' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.431 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.6 m-70 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.555 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 82' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' CD2' HG13 ' A' ' 57' ' ' VAL . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.515 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.432 ' CD ' HG12 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p -87.14 43.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.07 66.78 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 t -58.29 -61.96 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.61 -113.61 4.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.93 5.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.8 m -107.81 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -65.91 145.06 56.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -81.04 43.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -115.85 126.37 53.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 -159.1 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -113.33 41.76 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -45.61 -50.91 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.52 106.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.46 92.8 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -109.51 105.07 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p 38.66 36.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 p -148.56 119.49 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.96 154.12 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -72.58 101.84 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD11 ' CZ2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.459 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' ASP . 45.0 mt-30 -108.89 59.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLN . 4.6 t0 35.42 41.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -112.48 39.27 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.63 40.66 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 51.33 41.05 27.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.2 m -101.15 -62.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -95.31 112.88 24.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.44 123.01 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.59 76.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.476 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 100' ' ' SER . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 2.3 m80 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.475 ' CB ' HD22 ' A' ' 78' ' ' LEU . 42.1 t-80 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 85' ' ' SER . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.575 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p -72.31 94.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.7 114.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 t -74.93 102.11 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.17 -157.72 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.6 18.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.8 m -94.93 -44.62 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.8 m -98.69 138.37 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -44.72 146.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -125.64 42.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 157.15 46.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -118.54 121.25 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -154.04 161.58 41.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.83 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 HD11 ' C ' ' A' ' 8' ' ' LEU . 2.8 pp -105.72 -177.12 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.97 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.548 HG22 ' CH2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -166.06 -176.6 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m 74.33 50.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 1.9 m -115.51 134.76 54.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -44.12 109.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD11 ' CE2' ' A' ' 92' ' ' TRP . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD11 ' C ' ' A' ' 21' ' ' GLN . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' C ' HD11 ' A' ' 17' ' ' LEU . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -90.89 -44.51 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.72 162.89 24.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HB3' ' CZ3' ' A' ' 26' ' ' TRP . 26.0 ptt-85 -52.28 -42.2 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.4 p-10 -72.69 70.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 46.1 mtp180 -34.52 106.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 m -134.83 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -125.04 91.69 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ALA . 62.1 t -45.1 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . -33.79 -43.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.454 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.455 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.484 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CB ' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.479 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.548 ' CH2' HG22 ' A' ' 10' ' ' THR . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m -55.84 166.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.37 84.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 m -104.76 136.37 44.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 -73.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 80.31 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -167.9 118.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -71.97 121.91 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -125.63 80.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.04 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -130.91 152.44 50.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -159.3 114.06 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.39 127.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -169.44 107.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' THR . 60.8 tt0 -106.09 92.17 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' GLU . 72.4 p 36.01 35.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -144.91 126.42 15.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.35 134.9 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 -62.45 103.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 34.0 m120 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -116.03 74.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 74.56 55.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 43.5 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -112.64 48.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.55 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 21.3 mtp180 -38.52 -40.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -54.05 -44.12 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' VAL . 6.1 mmmm -105.39 50.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' LYS . 50.3 t -36.46 116.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -40.17 -47.13 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 93' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 30.6 m170 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HD2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.464 ' CB ' HD23 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' C ' HD22 ' A' ' 78' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 81' ' ' LEU . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.51 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 57' ' ' VAL . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p -75.48 57.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' SER . . . -124.33 -45.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' GLY . 28.8 t -37.76 100.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.87 121.43 26.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.59 3.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.0 t -124.27 153.17 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -39.39 -42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -73.52 173.98 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.49 154.43 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.8 94.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -151.03 109.28 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -80.71 130.31 35.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.5 97.87 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -156.38 123.08 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' THR . 9.3 mm-40 -100.53 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 21.2 p -34.54 -56.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -69.43 127.47 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -144.03 164.14 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.69 109.21 6.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.571 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.0 m120 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -124.74 -54.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.08 178.55 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -80.6 -41.19 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ARG . 45.3 t30 -92.28 40.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 13.2 mtp-105 38.28 44.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -65.19 -62.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -109.62 104.67 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 46' ' ' ALA . 91.6 t -64.21 100.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 45' ' ' VAL . . . -34.15 -53.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 93' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 25.3 m-70 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.44 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 54' ' ' GLY . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CH2' ' SG ' ' A' ' 27' ' ' CYS . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 57' ' ' VAL . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.571 HD22 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 102' ' ' SER . 81.1 p -74.75 126.76 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.28 74.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' SER . 3.4 m -52.61 156.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.822 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.85 67.22 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' SER . 54.0 Cg_endo -69.72 -15.73 37.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' PRO . 53.1 p -37.58 133.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 t -42.3 142.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -144.8 125.15 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -46.58 150.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 163.91 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.01 149.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -66.56 169.9 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.08 104.7 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -112.53 89.56 3.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -115.99 124.72 51.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p 38.36 37.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -152.15 109.93 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -165.06 143.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.65 103.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.439 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CD2' ' HB3' ' A' ' 42' ' ' ARG . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -114.84 -53.74 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.07 173.73 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 24.2 mtm105 -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 m120 -84.18 36.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.532 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 53.3 mtm-85 34.38 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 p -77.73 -46.82 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -102.88 116.25 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.0 t -78.41 103.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . -35.61 -55.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.466 ' O ' ' CD ' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 6.2 m-70 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.445 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' CD1' ' SG ' ' A' ' 55' ' ' CYS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' CG ' ' HB2' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -63.4 90.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.94 -48.63 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 45.82 42.89 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.91 -162.42 38.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 m -129.51 173.53 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -156.15 140.95 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -166.99 125.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -102.14 158.54 16.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.65 140.96 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -81.71 81.14 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -114.69 174.29 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 128.79 7.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 tp -112.51 160.76 17.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 10' ' ' THR . 6.6 tp10 -129.08 152.36 48.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.444 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 64.9 p -45.41 -43.71 11.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -69.77 75.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -103.91 130.21 51.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -65.31 119.45 10.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' CD1' ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 25' ' ' ARG . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 21' ' ' GLN . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' C ' HD11 ' A' ' 17' ' ' LEU . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.535 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.464 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.5 m120 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 43.7 mt-30 -117.8 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -163.47 -175.02 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 0.1 OUTLIER 63.99 54.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 46.94 48.28 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 37' ' ' TYR . 90.2 mtt180 59.72 54.24 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 40' ' ' ARG . 3.9 m -97.2 -48.37 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -93.57 76.85 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -48.82 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . . . -55.5 -47.88 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.546 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD13 ' CB ' ' A' ' 99' ' ' GLU . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG22 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.535 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.563 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.544 HD21 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' CB ' HG22 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.436 ' CB ' HD13 ' A' ' 52' ' ' LEU . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p -70.3 117.35 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.32 95.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.0 p -90.42 152.02 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 122.25 29.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.4 p -149.09 132.25 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.4 m -125.85 175.85 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -149.72 170.85 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -100.17 115.48 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.5 -104.37 2.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t 54.08 41.2 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -115.06 145.42 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 151.85 -40.6 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -34.33 122.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.76 173.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -48.62 -46.9 40.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 p -48.32 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -146.22 159.16 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 -80.62 104.12 10.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' CH2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 21' ' ' GLN . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.524 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' ND2' ' OE1' ' A' ' 99' ' ' GLU . 19.8 m120 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -113.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -104.85 154.4 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -51.82 -34.18 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 72.6 m-20 -56.21 -29.28 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 58.2 41.02 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 m -96.81 -40.92 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -101.55 78.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -46.56 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' HB1' ' NH1' ' A' ' 25' ' ' ARG . . . -45.25 -48.26 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG13 ' CD2' ' A' ' 93' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.7 m-70 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 86' ' ' SER . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.513 ' CH2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CD2' HG13 ' A' ' 57' ' ' VAL . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.424 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p -72.82 91.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.93 117.78 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -109.68 83.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.66 -144.05 3.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.07 64.3 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 t -84.09 117.31 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -57.84 -44.83 86.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD11 ' CD2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.039 HG22 ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 16' ' ' VAL . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.54 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 27' ' ' CYS . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.745 0.307 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 53' ' ' VAL . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 76' ' ' GLU . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.814 HD21 ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.039 ' CD1' HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.492 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CD2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 81' ' ' LEU . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' VAL . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 16' ' ' VAL . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.486 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 71.9 m-20 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.621 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.72 HG21 ' CB ' ' A' ' 96' ' ' LEU . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.43 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HD3' HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 79' ' ' ALA . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD21 ' HD3' ' A' ' 70' ' ' ARG . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 2.1 t60 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HG3' ' CD2' ' A' ' 73' ' ' HIS . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 72' ' ' LEU . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.686 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 16' ' ' VAL . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 95' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.72 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.082 HG22 HD12 ' A' ' 81' ' ' LEU . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.857 HD22 ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 16' ' ' VAL . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.53 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.555 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.54 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' A' ' 79' ' ' ALA . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.857 ' HD3' HD22 ' A' ' 17' ' ' LEU . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.082 HD12 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.857 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.022 HD11 ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.426 ' SG ' HD12 ' A' ' 14' ' ' LEU . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.492 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.701 0.286 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 50' ' ' LEU . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG23 HH11 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.423 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.54 HH11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.613 ' HD3' HD22 ' A' ' 17' ' ' LEU . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.558 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 1.022 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' PRO . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.638 ' CB ' HG21 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 16' ' ' VAL . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HG23 ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 99' ' ' GLU . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 71.6 m-80 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.686 ' HB3' HG22 ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.711 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 8.3 m80 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG3' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.686 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.486 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.484 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.779 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.711 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 29' ' ' VAL . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 81' ' ' LEU . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.514 ' CE2' HD13 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.444 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 74.9 m-20 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 66.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.715 0.293 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' CB ' ' A' ' 96' ' ' LEU . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 55' ' ' CYS . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.905 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.1 t60 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 73' ' ' HIS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.031 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.863 ' CE2' HD11 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' CB ' HG21 ' A' ' 57' ' ' VAL . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 14' ' ' LEU . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.439 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.749 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HB3' HG22 ' A' ' 71' ' ' ILE . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 79' ' ' ALA . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.649 ' CE3' HD23 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.649 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.758 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 68.5 m-80 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.549 ' HB3' HG22 ' A' ' 71' ' ' ILE . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.0 m80 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.549 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 78' ' ' LEU . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 73' ' ' HIS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.414 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.666 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 81' ' ' LEU . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' VAL . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.646 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.689 0.281 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.608 ' HB3' HG22 ' A' ' 71' ' ' ILE . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.7 m80 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.771 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' ' 73' ' ' HIS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' C ' HD13 ' A' ' 81' ' ' LEU . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.921 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.537 ' CE2' HD11 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 97' ' ' LEU . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.567 ' CB ' HG21 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 93' ' ' LEU . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.419 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 21.5 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.933 0.396 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CE2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG22 HD12 ' A' ' 81' ' ' LEU . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' VAL . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 5.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 71' ' ' ILE . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HE ' HD21 ' A' ' 72' ' ' LEU . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.564 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.737 ' HD3' HD22 ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.825 HD12 HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.48 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.992 ' CE2' HD11 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.639 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.856 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 16' ' ' VAL . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.535 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 95' ' ' LEU . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 64.2 m-80 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 34' ' ' LEU . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.75 0.309 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.563 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 10.8 m80 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' A' ' 72' ' ' LEU . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' SG ' ' A' ' 55' ' ' CYS . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.899 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.751 ' CE3' HD23 ' A' ' 95' ' ' LEU . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.751 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.725 ' CB ' HG21 ' A' ' 57' ' ' VAL . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 57' ' ' VAL . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.944 HD11 ' CE2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 81' ' ' LEU . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD22 ' HD3' ' A' ' 80' ' ' LYS . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 3.0 p-10 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HB2' ' ND2' ' A' ' 19' ' ' ASN . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.479 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.62 HD11 ' SG ' ' A' ' 27' ' ' CYS . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' HE2' HG11 ' A' ' 16' ' ' VAL . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.71 0.29 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.521 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.665 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HD3' HD21 ' A' ' 72' ' ' LEU . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.665 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 77' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HB2' HD11 ' A' ' 78' ' ' LEU . 5.3 t60 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.626 ' HA ' HD23 ' A' ' 72' ' ' LEU . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' HIS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD3' HD22 ' A' ' 17' ' ' LEU . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.798 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG22 HD12 ' A' ' 81' ' ' LEU . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 80' ' ' LYS . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 16' ' ' VAL . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.533 HG11 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 76.5 m-20 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' HIS . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 35' ' ' HIS . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.677 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 12.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 8.1 m80 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.875 ' HB2' HD21 ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.991 ' HB2' HG21 ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.533 ' CD ' HG11 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.935 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CE2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 ' CD1' ' A' ' 81' ' ' LEU . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.467 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' LEU . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 34' ' ' LEU . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG22 ' A' ' 71' ' ' ILE . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' C ' ' CG ' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 64' ' ' ASP . 7.0 m-70 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 14.6 t60 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 73' ' ' HIS . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HA ' HD23 ' A' ' 72' ' ' LEU . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.784 ' CD1' HG22 ' A' ' 16' ' ' VAL . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.825 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.926 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 89' ' ' MET . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.861 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 27' ' ' CYS . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.751 HG21 ' CB ' ' A' ' 96' ' ' LEU . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD11 HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HA ' HD23 ' A' ' 72' ' ' LEU . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 17' ' ' LEU . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 16' ' ' VAL . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.875 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.875 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD23 ' A' ' 95' ' ' LEU . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 93' ' ' LEU . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' CB ' HG21 ' A' ' 57' ' ' VAL . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.935 HD11 ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 81' ' ' LEU . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 70.6 m-80 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 34' ' ' LEU . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.745 0.307 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 79' ' ' ALA . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.898 HG21 ' CB ' ' A' ' 96' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.812 ' NE ' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.812 HD21 ' NE ' ' A' ' 70' ' ' ARG . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HA ' HD23 ' A' ' 72' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.935 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.898 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.889 HG22 HD12 ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG12 ' OD1' ' A' ' 19' ' ' ASN . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.681 ' OD1' HG12 ' A' ' 18' ' ' VAL . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 74.6 m-20 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.752 0.311 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 50' ' ' LEU . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.784 HG21 ' CB ' ' A' ' 96' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD11 ' A' ' 78' ' ' LEU . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.889 HD12 HG22 ' A' ' 16' ' ' VAL . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.618 ' CE3' HD23 ' A' ' 95' ' ' LEU . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.784 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' HH ' ' HZ3' ' A' ' 26' ' ' TRP . 99.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HD12 ' A' ' 81' ' ' LEU . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' VAL . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HB3' HG23 ' A' ' 16' ' ' VAL . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 34' ' ' LEU . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 27' ' ' CYS . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.739 0.304 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 53' ' ' VAL . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HB3' HD11 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' HD21 ' A' ' 72' ' ' LEU . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 58' ' ' VAL . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' O ' HD23 ' A' ' 72' ' ' LEU . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 73' ' ' HIS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 95' ' ' LEU . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 59' ' ' PRO . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.908 0.385 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.104 HD11 ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.819 HG22 HD12 ' A' ' 81' ' ' LEU . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' ' 80' ' ' LYS . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 71.4 m-80 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.702 0.287 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.561 ' HB3' HG22 ' A' ' 71' ' ' ILE . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.922 HG21 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 72' ' ' LEU . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 ' SG ' ' A' ' 55' ' ' CYS . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 88' ' ' GLU . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' MET . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 1.104 ' CE2' HD11 ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.922 ' CB ' HG21 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CE2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.93 HG22 HD12 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 42.3 m-80 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 96' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.0 m80 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.766 ' HB2' HD21 ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.612 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.924 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.8 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -82.63 102.36 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.38 91.81 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 41.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -139.24 109.28 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.33 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 54.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -102.74 -46.42 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 4.3 mp0 51.33 41.33 28.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLU . 74.7 p 34.64 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -129.89 43.12 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 m -81.35 160.46 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -75.94 133.08 40.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD11 ' CD2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.039 HG22 ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 16' ' ' VAL . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.54 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 27' ' ' CYS . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -119.18 -65.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.17 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -82.94 157.68 22.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' ARG . 4.2 m-20 62.29 42.98 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ASN . 71.8 mtm180 35.2 44.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -55.51 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -126.37 150.75 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.5 t -86.75 124.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.26 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 53' ' ' VAL . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 76' ' ' GLU . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD21 ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.039 ' CD1' HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.492 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CD2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -74.98 78.99 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 91.53 1.01 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -159.39 139.78 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.55 -153.71 16.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 t -112.93 113.29 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t 69.58 44.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.94 141.67 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -81.29 119.13 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.03 40.69 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 p -47.25 -49.96 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -42.17 155.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 109.93 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.8 tt -78.73 84.57 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' THR . 51.4 mm-40 -70.61 137.1 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 82.3 p -35.62 -45.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -71.17 86.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -117.12 167.13 11.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -83.22 116.36 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 81' ' ' LEU . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' VAL . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 16' ' ' VAL . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.486 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 71.9 m-20 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' CD2' HG12 ' A' ' 45' ' ' VAL . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ARG . 14.4 mt-30 -107.61 44.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 39.93 25.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' GLN . 6.4 tpt180 -104.07 58.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ARG . 10.8 m120 56.55 37.78 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HD2' ' CG ' ' A' ' 37' ' ' TYR . 22.1 mmm-85 37.51 40.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -96.43 -52.94 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -108.76 76.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.671 HG12 ' CD2' ' A' ' 37' ' ' TYR . 7.8 m -48.96 129.91 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.31 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.621 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG21 ' CB ' ' A' ' 96' ' ' LEU . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HD3' HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 79' ' ' ALA . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD21 ' HD3' ' A' ' 70' ' ' ARG . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 2.1 t60 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HG3' ' CD2' ' A' ' 73' ' ' HIS . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 72' ' ' LEU . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.686 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 16' ' ' VAL . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 95' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.72 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p -75.09 171.82 13.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.23 102.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -108.14 148.47 29.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.4 -106.53 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 138.1 37.17 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -158.56 109.98 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -126.05 130.61 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -124.91 -45.91 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -100.75 177.49 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 -125.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -154.24 152.45 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -108.96 -56.04 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.77 -84.48 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp 44.4 46.19 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.47 -60.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -122.99 37.48 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 p -163.41 123.49 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t -163.5 126.43 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.73 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.082 HG22 HD12 ' A' ' 81' ' ' LEU . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD22 ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 16' ' ' VAL . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.53 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 40' ' ' ARG . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 45' ' ' VAL . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -100.49 -56.4 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' HB2' ' ND2' ' A' ' 41' ' ' ASN . 0.7 OUTLIER -104.98 -177.88 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.77 22.19 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 39' ' ' ASP . 4.4 p30 -105.87 -16.58 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 50.3 53.13 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -118.61 -41.36 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -110.04 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' PHE . 95.0 t -47.23 135.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.94 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.555 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.54 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' A' ' 79' ' ' ALA . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.857 ' HD3' HD22 ' A' ' 17' ' ' LEU . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.082 HD12 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.857 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 93.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.11 97.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 t -54.4 -58.6 6.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.99 -172.42 35.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.37 3.79 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.0 p -80.7 -48.52 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.0 p -50.63 122.37 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -119.08 100.07 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -122.39 112.05 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 43.22 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -108.83 42.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -55.66 117.71 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.05 63.54 0.81 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD21 ' OG ' ' A' ' 12' ' ' SER . 33.7 tp -120.43 118.87 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.99 179.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.758 HG21 ' HB ' ' A' ' 29' ' ' VAL . 23.7 m -45.05 -61.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . 89.8 p -37.58 118.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' OG ' HD21 ' A' ' 8' ' ' LEU . 1.6 t -170.04 174.38 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -97.33 105.84 18.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.022 HD11 ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' SG ' HD12 ' A' ' 14' ' ' LEU . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' A' ' 10' ' ' THR . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -112.1 -44.41 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -78.76 171.91 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 69.0 mtt-85 -73.26 -59.76 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ARG . 50.5 t30 -79.51 44.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' ASN . 59.9 mtt180 34.76 40.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -72.47 -39.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -126.09 116.54 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' PHE . 14.9 p -76.42 144.54 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -87.92 -36.49 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 50' ' ' LEU . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG23 HH11 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.423 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.54 HH11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.613 ' HD3' HD22 ' A' ' 17' ' ' LEU . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 1.022 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' PRO . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 10' ' ' THR . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.638 ' CB ' HG21 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p -47.3 -62.22 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.69 91.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t -100.15 -47.95 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.68 -74.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -14.71 36.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.4 p 44.0 44.15 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -77.26 143.07 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 56.72 44.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -101.93 136.35 41.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.08 117.05 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.36 -54.51 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -101.02 -20.72 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 109.56 -124.47 7.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.6 mm? -127.72 -178.49 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.727 0.299 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.81 161.58 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.4 p -47.09 -45.11 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -88.86 81.14 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -131.53 123.53 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 3.7 p90 -44.14 119.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 16' ' ' VAL . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HG23 ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 99' ' ' GLU . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 71.6 m-80 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -109.37 -44.13 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.02 161.06 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -20.17 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 p30 -102.28 41.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.549 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 17.6 mtt85 35.77 38.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 t -46.55 -55.98 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -149.28 142.68 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ALA . 93.4 t -74.29 99.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -34.13 -48.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.686 ' HB3' HG22 ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.711 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 8.3 m80 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG3' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.686 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.486 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.484 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.779 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.711 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 29' ' ' VAL . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -72.57 81.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.53 -109.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.4 m -111.16 161.24 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.66 65.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 1.94 3.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m 62.78 40.33 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t 56.15 40.91 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -161.73 130.84 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 50.14 43.17 25.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -44.36 4.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -121.03 155.24 34.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.8 p -134.23 -44.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.63 76.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -107.47 167.99 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.596 ' N ' HD12 ' A' ' 8' ' ' LEU . 8.6 pt-20 -44.84 171.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 10' ' ' THR . 2.0 t -70.53 -24.97 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 38.3 m -70.61 88.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 8' ' ' LEU . 5.2 m -136.16 171.29 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 -89.78 117.0 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 81' ' ' LEU . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.514 ' CE2' HD13 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.466 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 74.9 m-20 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 66.4 mt-30 -113.67 -64.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.4 159.89 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -65.84 153.44 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.9 m120 66.48 39.37 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 15.9 mtp180 34.28 47.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -78.15 -56.39 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -95.8 123.59 39.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 61.9 t -86.86 89.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' HG3' ' A' ' 38' ' ' GLN . . . -35.26 -53.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' CB ' ' A' ' 96' ' ' LEU . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 55' ' ' CYS . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.905 ' HB2' HD11 ' A' ' 78' ' ' LEU . 2.1 t60 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 73' ' ' HIS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.031 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.863 ' CE2' HD11 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' CB ' HG21 ' A' ' 57' ' ' VAL . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p -80.59 81.8 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.54 -114.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t 65.11 45.69 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.01 141.68 16.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -0.21 6.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -73.5 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.04 109.95 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -163.83 139.63 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -164.01 168.28 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.64 -166.6 13.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -152.55 124.06 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -81.12 107.77 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 -22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 12' ' ' SER . 1.0 OUTLIER -111.29 9.89 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' LEU . 39.7 mp0 -34.25 115.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 73.1 p 35.91 46.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 t -175.68 105.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' LEU . 3.3 t -156.83 173.33 17.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -91.17 96.89 10.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 14' ' ' LEU . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.439 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.749 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -122.44 -60.77 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 22.0 p-10 -79.14 162.55 25.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 30.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ARG . 28.8 m120 -128.34 21.75 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' ASN . 63.7 mtm-85 35.28 45.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -113.15 -63.6 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -73.38 90.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ALA . 89.0 t -72.52 97.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . -35.7 -41.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HB3' HG22 ' A' ' 71' ' ' ILE . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 79' ' ' ALA . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.649 ' CE3' HD23 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.649 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.758 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p -81.06 47.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.89 103.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -80.41 101.62 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.58 83.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 166.2 28.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.6 p -113.99 153.33 29.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.2 p -45.49 -37.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.375 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -104.34 89.64 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 70.84 43.08 59.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.0 m 35.34 41.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -162.92 133.87 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.07 65.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 115.45 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.61 172.82 1.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -66.91 -43.65 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -79.19 96.11 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -132.55 133.17 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 -60.27 103.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 68.5 m-80 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.65 -45.77 7.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -151.96 178.68 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . 33.8 ptt85 -36.17 -34.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ASP . 4.3 p-10 -73.05 65.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 22.4 mtm-85 -43.4 -39.72 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . 66.4 m -34.52 -42.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' C ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -84.29 54.68 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LYS . 59.4 t -37.27 135.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.42 73.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.549 ' HB3' HG22 ' A' ' 71' ' ' ILE . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.468 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.0 m80 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.549 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 78' ' ' LEU . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 73' ' ' HIS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.414 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.666 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 102' ' ' SER . 50.9 p -73.64 122.17 21.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.57 93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' SER . 22.7 p -87.65 -18.25 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -170.05 172.76 43.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.0 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t 39.26 43.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.8 t -88.23 81.2 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -108.67 -48.13 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -74.73 107.21 6.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.1 77.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -73.55 94.81 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -159.82 144.7 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 163.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.98 136.74 48.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.69 175.86 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.6 p -66.06 -37.02 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -78.02 86.89 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -125.12 111.97 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -39.05 116.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 81' ' ' LEU . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' VAL . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.646 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -106.03 -51.78 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 1.0 OUTLIER -62.46 171.27 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.584 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 3.7 mpt_? -72.64 -58.68 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.5 m-80 -84.42 48.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 17.8 mtp-105 36.07 46.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' ASP . 45.5 t -72.91 -51.43 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -117.83 114.96 24.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.36 150.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -92.24 -35.58 13.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.608 ' HB3' HG22 ' A' ' 71' ' ' ILE . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.7 m80 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.771 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' ' 73' ' ' HIS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' C ' HD13 ' A' ' 81' ' ' LEU . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.921 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.537 ' CE2' HD11 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 97' ' ' LEU . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.567 ' CB ' HG21 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 93' ' ' LEU . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.419 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p -55.75 -44.45 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.18 80.35 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 p -91.37 89.37 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.9 165.22 20.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -80.38 138.46 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 m -138.68 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -124.51 119.7 29.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.05 166.36 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 39.68 42.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -123.39 172.61 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 123.02 2.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 tp -126.48 126.42 43.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.305 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.32 165.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.0 p -49.06 -46.84 45.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -67.93 104.06 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 p -132.73 170.55 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 21.5 p90 -93.13 97.95 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CE2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG22 HD12 ' A' ' 81' ' ' LEU . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' VAL . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 5.6 mp0 -115.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.02 170.02 10.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.15 166.19 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ARG . 23.7 m-20 55.39 40.59 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 27.7 mtm105 34.41 52.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -64.58 -49.77 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.479 ' HD2' ' NE2' ' A' ' 38' ' ' GLN . 10.5 tmtt? -137.32 148.14 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 93.2 t -97.58 119.04 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . -64.47 -48.61 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 71' ' ' ILE . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HE ' HD21 ' A' ' 72' ' ' LEU . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.564 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.737 ' HD3' HD22 ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.825 HD12 HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.48 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.992 ' CE2' HD11 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.639 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.856 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p -77.13 48.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.38 142.74 13.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -154.62 120.9 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.72 160.11 51.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 0.89 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.302 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 m -119.35 133.93 55.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.0 t -45.21 -52.36 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 40.41 41.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.58 -57.64 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.32 67.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.27 -59.1 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -106.29 168.36 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.88 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 tp -41.38 110.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.26 166.12 11.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 p -41.13 -43.67 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -76.87 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.3 m -113.02 -175.4 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.44 96.59 8.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 16' ' ' VAL . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.535 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 95' ' ' LEU . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 64.2 m-80 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 34' ' ' LEU . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -111.83 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.22 -178.34 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 78.2 mtp180 -81.77 -52.27 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.3 m120 -83.0 42.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ASN . 73.1 mtt180 33.97 41.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -78.84 -49.06 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.86 91.88 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 36' ' ' PHE . 14.9 p -62.45 145.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.1 -35.89 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' HG22 ' A' ' 45' ' ' VAL . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.563 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 10.8 m80 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' A' ' 72' ' ' LEU . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' SG ' ' A' ' 55' ' ' CYS . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.899 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.751 ' CE3' HD23 ' A' ' 95' ' ' LEU . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.751 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.725 ' CB ' HG21 ' A' ' 57' ' ' VAL . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 57' ' ' VAL . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' SER . 88.4 p -74.1 114.41 12.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.72 86.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 100' ' ' SER . 36.4 t -78.5 134.96 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.39 149.35 5.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.21 53.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p 40.71 43.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.1 t -94.59 -43.4 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -85.61 42.3 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -41.68 109.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 161.84 30.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -98.33 157.88 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -87.76 -56.75 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.22 49.95 61.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -71.84 121.88 19.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.28 155.25 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 95' ' ' LEU . 20.0 p -52.07 -30.13 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 t -72.06 112.42 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 p -166.17 153.35 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -85.13 104.93 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.944 HD11 ' CE2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 81' ' ' LEU . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD22 ' HD3' ' A' ' 80' ' ' LYS . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 3.0 p-10 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.543 ' HB2' ' ND2' ' A' ' 19' ' ' ASN . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.479 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.62 HD11 ' SG ' ' A' ' 27' ' ' CYS . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' HE2' HG11 ' A' ' 16' ' ' VAL . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.87 ' CE1' HG12 ' A' ' 45' ' ' VAL . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 -107.02 -63.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -82.41 176.37 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -93.55 34.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.2 m120 -131.02 29.6 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' ASN . 60.2 mtm180 33.93 42.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.5 t -127.72 152.24 47.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 55.58 47.36 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG12 ' CE1' ' A' ' 37' ' ' TYR . 5.3 m -34.63 137.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.18 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.521 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.665 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HD3' HD21 ' A' ' 72' ' ' LEU . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.665 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 77' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HB2' HD11 ' A' ' 78' ' ' LEU . 5.3 t60 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.626 ' HA ' HD23 ' A' ' 72' ' ' LEU . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' HIS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD3' HD22 ' A' ' 17' ' ' LEU . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.798 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p -74.37 108.02 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.49 112.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.1 p -89.75 42.13 1.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.5 94.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.73 2.55 3.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 t -47.76 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 104' ' ' PRO . 39.6 p -92.85 43.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 p -132.36 166.02 22.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -100.21 107.48 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 -151.7 6.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -92.89 134.39 35.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -119.49 164.03 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.61 70.47 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 tp -154.06 107.44 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' THR . 7.3 tt0 -67.26 150.11 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 71.8 p -34.02 -49.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 p -53.84 124.78 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -160.6 167.01 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER -93.1 117.57 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG22 HD12 ' A' ' 81' ' ' LEU . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 80' ' ' LYS . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 16' ' ' VAL . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.533 HG11 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 76.5 m-20 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' HIS . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.677 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 12.2 mt-30 -108.82 34.38 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' CE3' ' A' ' 26' ' ' TRP . 3.3 t70 67.68 38.78 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.4 41.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 m120 51.38 40.54 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 11.6 mtp-105 59.37 43.38 16.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.3 m -121.58 -42.3 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -107.85 75.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 36' ' ' PHE . 11.6 p -49.39 143.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . . . -98.1 -32.78 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 8.1 m80 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.875 ' HB2' HD21 ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.991 ' HB2' HG21 ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.533 ' CD ' HG11 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p -87.14 43.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.07 66.78 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 t -58.29 -61.96 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.61 -113.61 4.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.93 5.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.8 m -107.81 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -65.91 145.06 56.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -81.04 43.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -115.85 126.37 53.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 -159.1 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -113.33 41.76 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -45.61 -50.91 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.52 106.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.46 92.8 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -109.51 105.07 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p 38.66 36.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 p -148.56 119.49 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.96 154.12 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -72.58 101.84 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CE2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 ' CD1' ' A' ' 81' ' ' LEU . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.467 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' LEU . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' ASP . 45.0 mt-30 -108.89 59.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLN . 4.6 t0 35.42 41.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -112.48 39.27 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.63 40.66 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 42.2 mtm180 51.33 41.05 27.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.2 m -101.15 -62.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -95.31 112.88 24.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.44 123.01 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.59 76.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 34' ' ' LEU . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG22 ' A' ' 71' ' ' ILE . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' C ' ' CG ' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 64' ' ' ASP . 7.0 m-70 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 14.6 t60 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.569 ' HG3' ' CD2' ' A' ' 73' ' ' HIS . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HA ' HD23 ' A' ' 72' ' ' LEU . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.784 ' CD1' HG22 ' A' ' 16' ' ' VAL . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.825 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.926 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 89' ' ' MET . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.861 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p -72.31 94.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.7 114.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 t -74.93 102.11 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.17 -157.72 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.6 18.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.8 m -94.93 -44.62 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.8 m -98.69 138.37 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -44.72 146.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -125.64 42.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 157.15 46.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -118.54 121.25 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -154.04 161.58 41.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.83 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD21 ' OG ' ' A' ' 12' ' ' SER . 2.8 pp -105.72 -177.12 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.97 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -166.06 -176.6 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.72 ' H ' HG22 ' A' ' 10' ' ' THR . 3.7 m 74.33 50.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 8' ' ' LEU . 1.9 m -115.51 134.76 54.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -44.12 109.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 27' ' ' CYS . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' ' 10' ' ' THR . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -90.89 -44.51 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.72 162.89 24.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 26' ' ' TRP . 26.0 ptt-85 -52.28 -42.2 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.4 p-10 -72.69 70.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 46.1 mtp180 -34.52 106.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 m -134.83 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -125.04 91.69 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ALA . 62.1 t -45.1 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -33.79 -43.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 45' ' ' VAL . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.751 HG21 ' CB ' ' A' ' 96' ' ' LEU . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD11 HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HA ' HD23 ' A' ' 72' ' ' LEU . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 17' ' ' LEU . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 16' ' ' VAL . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.875 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.875 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD23 ' A' ' 95' ' ' LEU . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 93' ' ' LEU . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' CB ' HG21 ' A' ' 57' ' ' VAL . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m -55.84 166.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.37 84.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 m -104.76 136.37 44.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 -73.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 80.31 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -167.9 118.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -71.97 121.91 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -125.63 80.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.04 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -130.91 152.44 50.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -159.3 114.06 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.39 127.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -169.44 107.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' THR . 60.8 tt0 -106.09 92.17 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' GLU . 72.4 p 36.01 35.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -144.91 126.42 15.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.35 134.9 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 -62.45 103.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.935 HD11 ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 81' ' ' LEU . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 70.6 m-80 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 34' ' ' LEU . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -116.03 74.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 74.56 55.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 43.5 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -112.64 48.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.3 mtp180 -38.52 -40.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -54.05 -44.12 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' VAL . 6.1 mmmm -105.39 50.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 42' ' ' ARG . 50.3 t -36.46 116.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -40.17 -47.13 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 79' ' ' ALA . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 102' ' ' SER . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.898 HG21 ' CB ' ' A' ' 96' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.812 ' NE ' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.812 HD21 ' NE ' ' A' ' 70' ' ' ARG . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HA ' HD23 ' A' ' 72' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.935 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.898 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p -75.48 57.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' SER . . . -124.33 -45.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.665 ' HB3' HG13 ' A' ' 53' ' ' VAL . 28.8 t -37.76 100.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.87 121.43 26.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.59 3.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.0 t -124.27 153.17 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -39.39 -42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -73.52 173.98 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.49 154.43 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.8 94.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -151.03 109.28 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -80.71 130.31 35.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.5 97.87 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -156.38 123.08 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' THR . 9.3 mm-40 -100.53 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 21.2 p -34.54 -56.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -69.43 127.47 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -144.03 164.14 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.69 109.21 6.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.889 HG22 HD12 ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG12 ' OD1' ' A' ' 19' ' ' ASN . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.681 ' OD1' HG12 ' A' ' 18' ' ' VAL . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 74.6 m-20 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -124.74 -54.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.08 178.55 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -80.6 -41.19 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ARG . 45.3 t30 -92.28 40.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 13.2 mtp-105 38.28 44.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -65.19 -62.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -109.62 104.67 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 46' ' ' ALA . 91.6 t -64.21 100.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . -34.15 -53.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 50' ' ' LEU . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.784 HG21 ' CB ' ' A' ' 96' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD11 ' A' ' 78' ' ' LEU . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.889 HD12 HG22 ' A' ' 16' ' ' VAL . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.618 ' CE3' HD23 ' A' ' 95' ' ' LEU . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.784 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 102' ' ' SER . 81.1 p -74.75 126.76 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.28 74.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' SER . 3.4 m -52.61 156.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.822 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.85 67.22 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' SER . 54.0 Cg_endo -69.72 -15.73 37.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' PRO . 53.1 p -37.58 133.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 t -42.3 142.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -144.8 125.15 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -46.58 150.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 163.91 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.01 149.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -66.56 169.9 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.08 104.7 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -112.53 89.56 3.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -115.99 124.72 51.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.577 HG22 HD11 ' A' ' 95' ' ' LEU . 22.7 p 38.36 37.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -152.15 109.93 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -165.06 143.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' HH ' ' HZ3' ' A' ' 26' ' ' TRP . 99.1 m-85 -66.65 103.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HD12 ' A' ' 81' ' ' LEU . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' VAL . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HB3' HG23 ' A' ' 16' ' ' VAL . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 34' ' ' LEU . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 27' ' ' CYS . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 42' ' ' ARG . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -114.84 -53.74 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.07 173.73 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 40' ' ' ARG . 24.2 mtm105 -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 m120 -84.18 36.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 53.3 mtm-85 34.38 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 p -77.73 -46.82 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -102.88 116.25 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.0 t -78.41 103.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' VAL . . . -35.61 -55.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 53' ' ' VAL . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HB3' HD11 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' HD21 ' A' ' 72' ' ' LEU . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 58' ' ' VAL . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' O ' HD23 ' A' ' 72' ' ' LEU . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 73' ' ' HIS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 95' ' ' LEU . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 59' ' ' PRO . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 10' ' ' THR . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -63.4 90.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.94 -48.63 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 45.82 42.89 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.91 -162.42 38.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 m -129.51 173.53 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -156.15 140.95 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -166.99 125.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -102.14 158.54 16.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.65 140.96 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -81.71 81.14 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -114.69 174.29 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 128.79 7.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 tp -112.51 160.76 17.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 10' ' ' THR . 6.6 tp10 -129.08 152.36 48.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 64.9 p -45.41 -43.71 11.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -69.77 75.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -103.91 130.21 51.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -65.31 119.45 10.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.104 HD11 ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.819 HG22 HD12 ' A' ' 81' ' ' LEU . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' ' 80' ' ' LYS . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 71.4 m-80 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 43.7 mt-30 -117.8 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -163.47 -175.02 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 0.1 OUTLIER 63.99 54.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 46.94 48.28 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 37' ' ' TYR . 90.2 mtt180 59.72 54.24 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 40' ' ' ARG . 3.9 m -97.2 -48.37 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -93.57 76.85 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -48.82 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -55.5 -47.88 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.561 ' HB3' HG22 ' A' ' 71' ' ' ILE . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.922 HG21 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 72' ' ' LEU . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 ' SG ' ' A' ' 55' ' ' CYS . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 88' ' ' GLU . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' MET . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 1.104 ' CE2' HD11 ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.922 ' CB ' HG21 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p -70.3 117.35 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.32 95.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.0 p -90.42 152.02 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 122.25 29.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.4 p -149.09 132.25 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.4 m -125.85 175.85 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -149.72 170.85 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -100.17 115.48 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.5 -104.37 2.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t 54.08 41.2 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -115.06 145.42 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 151.85 -40.6 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -34.33 122.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.76 173.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -48.62 -46.9 40.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 p -48.32 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -146.22 159.16 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 -80.62 104.12 10.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CE2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.93 HG22 HD12 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 42.3 m-80 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -113.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -104.85 154.4 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -51.82 -34.18 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 72.6 m-20 -56.21 -29.28 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD3' ' CD1' ' A' ' 37' ' ' TYR . 26.1 mtt180 58.2 41.02 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 m -96.81 -40.92 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -101.55 78.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 36' ' ' PHE . 96.3 t -46.56 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.25 -48.26 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 96' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' A' ' 64' ' ' ASP . 9.0 m80 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.766 ' HB2' HD21 ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.924 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.8 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p -72.82 91.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.93 117.78 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -109.68 83.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.66 -144.05 3.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.07 64.3 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 t -84.09 117.31 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -57.84 -44.83 86.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD11 ' CD2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.039 HG22 ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 16' ' ' VAL . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.54 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 99' ' ' GLU . 33.2 m120 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 27' ' ' CYS . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.745 0.307 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 53' ' ' VAL . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 20.0 m-70 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 76' ' ' GLU . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.814 HD21 ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.039 ' CD1' HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.492 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CD2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.91 0.386 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 81' ' ' LEU . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' VAL . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 16' ' ' VAL . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.486 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 28.8 m120 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.743 0.306 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.621 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.72 HG21 ' CB ' ' A' ' 96' ' ' LEU . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.43 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.1 m-70 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HD3' HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 79' ' ' ALA . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD21 ' HD3' ' A' ' 70' ' ' ARG . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 72' ' ' LEU . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.686 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 16' ' ' VAL . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 95' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.72 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.914 0.388 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.082 HG22 HD12 ' A' ' 81' ' ' LEU . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.857 HD22 ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 16' ' ' VAL . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.53 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.555 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.54 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' A' ' 79' ' ' ALA . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.857 ' HD3' HD22 ' A' ' 17' ' ' LEU . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.082 HD12 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.857 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.022 HD11 ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.426 ' SG ' HD12 ' A' ' 14' ' ' LEU . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.492 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.701 0.286 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG23 HH11 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.423 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.54 HH11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.613 ' HD3' HD22 ' A' ' 17' ' ' LEU . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.558 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 1.022 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' PRO . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.638 ' CB ' HG21 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 16' ' ' VAL . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HG23 ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 99' ' ' GLU . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 33.5 m120 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.686 ' HB3' HG22 ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.711 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.3 m-70 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG3' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.686 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.486 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.484 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.779 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.711 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 29' ' ' VAL . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 81' ' ' LEU . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.514 ' CE2' HD13 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.444 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.9 m120 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 66.4 mt-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' HG3' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.715 0.293 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' CB ' ' A' ' 96' ' ' LEU . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 55' ' ' CYS . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.905 ' HB2' HD11 ' A' ' 78' ' ' LEU . 21.9 t-160 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 73' ' ' HIS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.031 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.863 ' CE2' HD11 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.749 ' CB ' HG21 ' A' ' 57' ' ' VAL . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 14' ' ' LEU . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.439 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.443 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.749 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HB3' HG22 ' A' ' 71' ' ' ILE . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 79' ' ' ALA . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.649 ' CE3' HD23 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.649 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.758 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 27.8 m120 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.549 ' HB3' HG22 ' A' ' 71' ' ' ILE . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.579 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.3 m-70 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.549 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 78' ' ' LEU . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 73' ' ' HIS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.414 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.666 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.899 0.38 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 81' ' ' LEU . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' VAL . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.646 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' NE2' ' NH1' ' A' ' 25' ' ' ARG . 4.0 mm-40 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.689 0.281 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.608 ' HB3' HG22 ' A' ' 71' ' ' ILE . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.3 m-70 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.771 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' ' 73' ' ' HIS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' C ' HD13 ' A' ' 81' ' ' LEU . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.921 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.537 ' CE2' HD11 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 97' ' ' LEU . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.567 ' CB ' HG21 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 93' ' ' LEU . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.419 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.5 p90 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.933 0.396 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CE2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG22 HD12 ' A' ' 81' ' ' LEU . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' VAL . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 5.6 mp0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.775 0.321 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 71' ' ' ILE . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HE ' HD21 ' A' ' 72' ' ' LEU . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.564 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.737 ' HD3' HD22 ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.825 HD12 HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.48 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.992 ' CE2' HD11 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.639 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.856 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 16' ' ' VAL . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.535 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 95' ' ' LEU . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.3 m120 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 34' ' ' LEU . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.75 0.309 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.563 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 27.3 m-70 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' A' ' 72' ' ' LEU . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 16.6 t-160 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.593 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' SG ' ' A' ' 55' ' ' CYS . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.899 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.751 ' CE3' HD23 ' A' ' 95' ' ' LEU . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.751 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.725 ' CB ' HG21 ' A' ' 57' ' ' VAL . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 57' ' ' VAL . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.944 HD11 ' CE2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 81' ' ' LEU . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD22 ' HD3' ' A' ' 80' ' ' LYS . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.894 HG12 HD22 ' A' ' 19' ' ' ASN . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.894 HD22 HG12 ' A' ' 18' ' ' VAL . 8.4 p30 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.479 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m120 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.62 HD11 ' SG ' ' A' ' 27' ' ' CYS . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' HE2' HG11 ' A' ' 16' ' ' VAL . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.71 0.29 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.521 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.665 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HD3' HD21 ' A' ' 72' ' ' LEU . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.665 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 77' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HE3' ' A' ' 74' ' ' LYS . 14.8 t-160 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 73' ' ' HIS . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.626 ' HA ' HD23 ' A' ' 72' ' ' LEU . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' HIS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD3' HD22 ' A' ' 17' ' ' LEU . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.798 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.899 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG22 HD12 ' A' ' 81' ' ' LEU . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 80' ' ' LYS . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 16' ' ' VAL . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.533 HG11 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.5 m120 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' HIS . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 35' ' ' HIS . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.677 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 12.2 mt-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.726 0.298 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.6 m-70 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.875 ' HB2' HD21 ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.991 ' HB2' HG21 ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.533 ' CD ' HG11 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.935 0.397 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CE2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 ' CD1' ' A' ' 81' ' ' LEU . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.467 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' LEU . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 34' ' ' LEU . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 53' ' ' VAL . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG22 ' A' ' 71' ' ' ILE . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 2.3 m80 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.493 ' CB ' HD21 ' A' ' 78' ' ' LEU . 42.1 t-80 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HA ' HD23 ' A' ' 72' ' ' LEU . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.784 ' CD1' HG22 ' A' ' 16' ' ' VAL . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.825 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.926 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 89' ' ' MET . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.861 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 27' ' ' CYS . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.739 0.304 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.751 HG21 ' CB ' ' A' ' 96' ' ' LEU . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD11 HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HA ' HD23 ' A' ' 72' ' ' LEU . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 17' ' ' LEU . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 16' ' ' VAL . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.875 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.875 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD23 ' A' ' 95' ' ' LEU . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 93' ' ' LEU . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.751 ' CB ' HG21 ' A' ' 57' ' ' VAL . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.935 HD11 ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 81' ' ' LEU . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 34.0 m120 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 34' ' ' LEU . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.745 0.307 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 79' ' ' ALA . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.898 HG21 ' CB ' ' A' ' 96' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 30.6 m170 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.812 ' NE ' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.812 HD21 ' NE ' ' A' ' 70' ' ' ARG . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HA ' HD23 ' A' ' 72' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.675 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.935 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.898 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.889 0.376 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.889 HG22 HD12 ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG12 ' OD1' ' A' ' 19' ' ' ASN . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.681 ' OD1' HG12 ' A' ' 18' ' ' VAL . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.512 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.0 m120 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.752 0.311 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.784 HG21 ' CB ' ' A' ' 96' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 25.3 m-70 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD11 ' A' ' 78' ' ' LEU . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.889 HD12 HG22 ' A' ' 16' ' ' VAL . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.618 ' CE3' HD23 ' A' ' 95' ' ' LEU . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.784 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' HH ' ' HZ3' ' A' ' 26' ' ' TRP . 99.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.925 0.393 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HD12 ' A' ' 81' ' ' LEU . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' VAL . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HB3' HG23 ' A' ' 16' ' ' VAL . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 34' ' ' LEU . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 27' ' ' CYS . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.739 0.304 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 53' ' ' VAL . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HB3' HD11 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 6.2 m-70 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' HD21 ' A' ' 72' ' ' LEU . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 58' ' ' VAL . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' O ' HD23 ' A' ' 72' ' ' LEU . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 73' ' ' HIS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 95' ' ' LEU . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 59' ' ' PRO . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.908 0.385 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.104 HD11 ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.819 HG22 HD12 ' A' ' 81' ' ' LEU . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' ' 80' ' ' LYS . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.5 m120 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.702 0.287 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.561 ' HB3' HG22 ' A' ' 71' ' ' ILE . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.922 HG21 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 72' ' ' LEU . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 ' SG ' ' A' ' 55' ' ' CYS . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 88' ' ' GLU . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' MET . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 1.104 ' CE2' HD11 ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.922 ' CB ' HG21 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.929 0.395 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CE2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.93 HG22 HD12 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' ND2' ' OE1' ' A' ' 99' ' ' GLU . 19.8 m120 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 96' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.7 m-70 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.766 ' HB2' HD21 ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.93 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.612 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.924 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.8 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -82.63 102.36 11.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.38 91.81 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.53 41.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -139.24 109.28 6.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -91.68 152.33 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.33 54.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tt -102.74 -46.42 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' THR . 4.3 mp0 51.33 41.33 28.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' GLU . 74.7 p 34.64 39.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -129.89 43.12 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.6 m -81.35 160.46 24.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -75.94 133.08 40.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD11 ' CD2' ' A' ' 92' ' ' TRP . 12.4 mt -132.11 156.55 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.35 107.82 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.039 HG22 ' CD1' ' A' ' 81' ' ' LEU . 85.9 t -94.66 105.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.8 tp -48.7 131.3 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 16' ' ' VAL . 79.6 t -139.77 125.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 40.91 51.64 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m 57.59 39.18 27.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -150.2 122.45 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.54 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.6 m95 -75.21 104.04 5.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 138.08 50.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.4 p -62.06 125.98 25.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -143.82 145.96 32.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.421 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.0 t90 -88.84 114.38 25.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.7 m -103.17 125.51 49.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -126.96 116.28 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.36 131.99 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt85 -164.72 138.74 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 58.97 40.11 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 99' ' ' GLU . 33.2 m120 59.23 39.77 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 47.9 m80 -149.24 135.63 19.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 27' ' ' CYS . 5.2 tp -98.96 104.41 16.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 49.1 m-70 -88.51 153.23 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.7 m-85 -116.0 133.35 56.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -130.53 166.03 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -119.18 -65.88 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.17 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -82.94 157.68 22.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 42' ' ' ARG . 4.2 m-20 62.29 42.98 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' ASN . 71.8 mtm180 35.2 44.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -55.51 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -126.37 150.75 48.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.5 t -86.75 124.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 -45.26 80.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' GLN . 11.3 pt20 -173.5 165.88 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 38.8 tt0 -33.61 139.53 0.26 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.73 175.52 7.96 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 34' ' ' LEU . 11.1 mt -113.24 139.65 48.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 93.1 p -95.27 66.32 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -41.55 -42.53 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 53' ' ' VAL . 4.2 p -43.86 98.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.51 -40.53 2.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.2 m -52.91 179.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -138.16 118.61 13.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 55.0 t -91.95 117.03 34.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -121.53 136.16 25.71 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.8 91.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 4.5 t0 -106.7 76.57 0.44 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 175.99 7.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -132.73 165.38 36.94 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.658 0.742 . . . . 0.0 110.815 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.71 3.88 2.49 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.1 t0 -123.97 -14.31 7.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 20.0 m-70 -163.71 107.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.59 27.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.1 m-85 -127.62 43.24 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 32.1 t -128.06 137.52 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.93 161.78 32.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 4.7 ptt180 -141.29 152.58 44.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.5 mt -103.02 151.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 76' ' ' GLU . 6.4 mt -137.63 148.42 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD21 ' A' ' 78' ' ' LEU . 62.4 t-80 -119.34 86.08 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm 74.99 25.49 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.1 -12.3 37.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.0 mp0 -89.26 178.55 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -107.85 134.6 50.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD21 ' HB2' ' A' ' 73' ' ' HIS . 17.0 mt -115.08 -46.12 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.7 177.28 9.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.3 tttp -152.76 115.91 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.039 ' CD1' HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -113.78 161.58 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.8 tt0 -142.96 129.1 19.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -88.72 -174.27 4.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.66 -36.93 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 52.5 p -128.46 160.48 32.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.807 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.543 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 60.2 p -58.88 -45.58 89.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -58.34 -35.07 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.9 tt0 -64.81 -53.49 46.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.492 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.4 ptm -57.34 -32.36 66.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.492 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.67 -28.64 73.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -80.1 -28.93 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CD2' HD11 ' A' ' 14' ' ' LEU . 78.7 m95 -80.55 -43.83 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -47.3 -60.35 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.44 -34.91 80.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -58.11 -49.38 77.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.947 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 41.3 mt -69.91 -50.74 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.7 mt -44.04 -51.39 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.9 p -52.58 -43.48 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 3.5 mm-40 -69.08 -45.66 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 95.4 p -74.98 78.99 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 123.22 91.53 1.01 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -159.39 139.78 12.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.55 -153.71 16.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.78 3.21 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 t -112.93 113.29 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 t 69.58 44.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -161.94 141.67 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 110.886 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 p -81.29 119.13 23.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.03 40.69 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 p -47.25 -49.96 22.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -42.17 155.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.71 109.93 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.435 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.8 tt -78.73 84.57 4.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' THR . 51.4 mm-40 -70.61 137.1 49.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 82.3 p -35.62 -45.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.8 m -71.17 86.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -117.12 167.13 11.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -83.22 116.36 22.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 92' ' ' TRP . 11.2 mt -119.95 163.62 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -98.56 109.12 21.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 81' ' ' LEU . 21.3 t -97.03 113.29 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.4 tp -53.12 123.85 12.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' VAL . 78.7 t -128.33 119.0 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 47.03 47.94 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 t 61.73 37.81 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -148.89 123.62 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.52 118.57 18.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -135.61 124.23 23.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -46.39 130.57 10.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.639 ' HB3' HG23 ' A' ' 16' ' ' VAL . 16.7 tpp180 -143.41 150.57 39.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 4.6 t-105 -86.27 113.84 22.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.4 m -107.89 129.66 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -136.06 113.83 11.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.86 132.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -161.91 139.79 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.1 t70 55.73 41.87 29.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.486 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 28.8 m120 58.81 43.05 18.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 18.1 m80 -150.39 135.13 17.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 8.0 tp -99.6 109.67 22.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 52.1 m-70 -89.58 171.77 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 51.7 m-85 -141.46 140.66 33.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.81 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' CD2' HG12 ' A' ' 45' ' ' VAL . 8.8 m-85 -144.59 165.6 27.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.963 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 40' ' ' ARG . 41.0 mt-30 -107.61 44.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 39.93 25.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' GLN . 6.4 tpt180 -104.07 58.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ARG . 10.8 m120 56.55 37.78 29.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HD2' ' CG ' ' A' ' 37' ' ' TYR . 22.1 mmm-85 37.51 40.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.8 t -96.43 -52.94 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -108.76 76.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.671 HG12 ' CD2' ' A' ' 37' ' ' TYR . 7.8 m -48.96 129.91 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.31 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -166.62 171.56 11.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -53.22 161.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 54.0 Cg_endo -69.75 169.9 17.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.6 mt -112.47 139.85 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.8 p -94.85 79.98 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.22 -37.97 67.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 85.4 t -47.04 102.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.27 -36.41 3.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.621 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.1 m -67.95 -179.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.73 0.3 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -145.1 124.5 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG21 ' CB ' ' A' ' 96' ' ' LEU . 43.1 t -91.96 118.97 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.2 m -121.76 138.55 28.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.0 Cg_endo -69.83 90.16 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 14.1 t70 -106.77 75.68 0.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.79 162.6 41.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.256 . . . . 0.0 112.296 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -121.71 166.58 16.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.705 0.764 . . . . 0.0 110.818 -179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.2 Cg_endo -69.86 4.6 2.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 36.8 t70 -125.95 -9.12 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.1 m-70 -167.41 105.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -80.52 14.88 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.3 m-85 -119.87 51.49 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.31 128.87 26.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.1 p90 -119.74 168.56 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.555 ' HD3' HD21 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -140.35 157.3 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.686 HD12 ' HB3' ' A' ' 79' ' ' ALA . 13.5 mt -112.2 138.37 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD21 ' HD3' ' A' ' 70' ' ' ARG . 1.1 mt -137.89 139.07 39.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -92.91 -74.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -121.71 40.57 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.41 -1.66 43.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' O ' HD23 ' A' ' 72' ' ' LEU . 16.5 mt-10 -104.58 177.02 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.926 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 24.1 tt0 -102.99 121.59 42.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -97.99 -46.94 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.686 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -158.68 153.96 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.5 tttt -132.24 110.83 10.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 16' ' ' VAL . 1.1 mm? -111.49 160.36 17.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -143.11 134.22 25.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.4 -174.96 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.1 -34.65 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 t -134.17 164.5 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 53.8 p -59.05 -40.74 86.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.12 -41.09 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.8 tt0 -59.4 -53.92 52.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.1 ptm -55.63 -31.17 62.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.471 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.76 -24.96 75.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -79.95 -29.44 39.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' HD23 ' A' ' 95' ' ' LEU . 55.9 m95 -82.46 -48.13 11.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.3 mt -38.71 -60.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.4 89.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.442 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.555 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.0 tp -59.49 -53.87 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.72 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.9 mt -65.85 -52.02 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.9 mt -44.89 -43.6 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -57.05 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.55 -51.16 66.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.9 p -75.09 171.82 13.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 51.23 102.13 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.2 t -108.14 148.47 29.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.4 -106.53 2.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 138.1 37.17 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 35.7 t -158.56 109.98 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.8 t -126.05 130.61 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -124.91 -45.91 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 m -100.75 177.49 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 -125.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -154.24 152.45 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -108.96 -56.04 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.77 -84.48 1.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 tp 44.4 46.19 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.47 -60.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -122.99 37.48 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 p -163.41 123.49 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t -163.5 126.43 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.73 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 92' ' ' TRP . 20.2 mt -109.05 160.16 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -101.83 107.87 19.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.082 HG22 HD12 ' A' ' 81' ' ' LEU . 97.2 t -94.45 111.6 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.857 HD22 ' HD3' ' A' ' 80' ' ' LYS . 15.2 tp -40.03 130.89 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 16' ' ' VAL . 24.6 t -142.62 116.95 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 49.46 43.85 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 t 68.05 25.32 7.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -144.72 126.21 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.53 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.8 m95 -72.16 117.14 13.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 9.6 mmpt? -110.34 167.27 10.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 m -88.35 103.07 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -122.84 147.49 46.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 40' ' ' ARG . 3.0 t-105 -91.88 103.15 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 m -89.33 132.6 34.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -137.64 120.9 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.8 t -103.71 125.65 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' ASP . 15.6 ttm180 -162.36 151.33 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 16.9 t70 53.28 38.98 29.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 35.5 m120 56.18 41.26 29.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -151.64 137.23 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.5 tp -95.97 108.07 20.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 46.6 m-70 -93.77 163.53 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 45' ' ' VAL . 13.3 m-85 -127.7 131.29 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -137.54 164.63 28.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -100.49 -56.4 2.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.98 -177.88 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 26' ' ' TRP . 0.1 OUTLIER -91.77 22.19 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -105.87 -16.58 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.523 ' N ' HD22 ' A' ' 41' ' ' ASN . 30.5 mtt180 50.3 53.13 13.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -118.61 -41.36 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -110.04 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 36' ' ' PHE . 95.0 t -47.23 135.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.94 60.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -157.94 156.3 31.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.23 161.18 0.61 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.78 168.98 20.02 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.555 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 13.0 mt -121.54 139.17 53.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.3 p -88.91 86.96 7.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.36 -46.04 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.1 t -49.64 103.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.13 -32.76 4.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.54 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -73.77 -174.88 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.5 tp10 -148.39 119.82 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.652 HG21 ' CB ' ' A' ' 96' ' ' LEU . 21.5 t -88.01 124.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG21 HD11 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -126.47 137.59 30.67 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.664 0.745 . . . . 0.0 111.132 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.82 91.26 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.9 t0 -106.85 76.24 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 170.9 15.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -129.18 165.92 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.669 0.747 . . . . 0.0 110.826 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.7 4.36 2.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -126.39 -10.29 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -166.23 105.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.2 25.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.9 m-85 -125.78 40.31 3.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -123.89 132.67 53.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -127.89 155.42 44.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.0 ptt180 -133.59 156.59 47.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD12 ' HB3' ' A' ' 79' ' ' ALA . 8.7 mt -109.92 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -138.32 141.32 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.435 ' ND1' ' HG2' ' A' ' 74' ' ' LYS . 10.3 t-80 -99.78 -71.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 6.6 mmpt? -119.27 41.38 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.87 -6.91 57.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.4 mt-10 -99.59 -174.41 2.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -109.73 120.05 41.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -91.54 -47.74 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -157.75 144.03 17.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.857 ' HD3' HD22 ' A' ' 17' ' ' LEU . 54.3 tttt -125.18 111.66 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.082 HD12 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -114.93 159.02 21.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -136.92 138.97 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.13 -174.19 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -101.09 -25.97 13.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 39.8 t -143.59 171.95 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 15.3 t -65.89 -45.51 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -35.99 75.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.88 -52.55 55.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.2 ptm -58.15 -30.44 66.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.1 -24.56 76.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -81.31 -28.46 34.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.857 ' CE2' HD11 ' A' ' 14' ' ' LEU . 68.5 m95 -81.75 -46.81 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.1 mt -44.14 -57.08 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.5 -33.84 77.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.11 -54.87 40.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' CB ' HG21 ' A' ' 57' ' ' VAL . 18.1 mt -62.16 -49.72 74.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.2 mt -48.22 -49.38 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.2 m -49.8 -50.74 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.03 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 93.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -169.11 97.43 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.7 t -54.4 -58.6 6.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -168.99 -172.42 35.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.37 3.79 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.0 p -80.7 -48.52 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.0 p -50.63 122.37 7.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.522 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -119.08 100.07 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -122.39 112.05 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 43.22 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -108.83 42.05 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 110.835 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -55.66 117.71 3.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.05 63.54 0.81 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.537 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD21 ' OG ' ' A' ' 12' ' ' SER . 33.7 tp -120.43 118.87 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -67.99 179.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.758 HG21 ' HB ' ' A' ' 29' ' ' VAL . 23.7 m -45.05 -61.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' THR . 89.8 p -37.58 118.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' OG ' HD21 ' A' ' 8' ' ' LEU . 1.6 t -170.04 174.38 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -97.33 105.84 18.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.022 HD11 ' CE2' ' A' ' 92' ' ' TRP . 32.6 mt -111.81 164.51 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -95.12 107.74 19.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.01 HG22 HD12 ' A' ' 81' ' ' LEU . 85.7 t -97.87 118.21 43.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.5 tp -59.77 135.22 57.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.6 t -142.55 122.89 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 44.56 46.79 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 t 61.12 38.38 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -150.81 123.11 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.66 110.23 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -120.7 151.8 39.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.8 p -69.28 119.06 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.584 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -138.46 143.83 39.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 16.0 t-105 -82.45 131.25 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' SG ' HD12 ' A' ' 14' ' ' LEU . 26.3 p -118.03 127.91 54.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -139.58 116.62 11.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.758 ' HB ' HG21 ' A' ' 10' ' ' THR . 80.3 t -98.86 135.41 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt85 -164.69 137.27 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.65 39.06 21.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 22.6 m120 60.35 39.63 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.7 m80 -146.29 134.68 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 6.1 tp -96.99 109.4 22.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 24.0 m-70 -93.3 161.81 14.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.722 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.6 m-85 -129.59 142.97 50.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.28 168.97 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -112.1 -44.41 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -78.76 171.91 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 69.0 mtt-85 -73.26 -59.76 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ARG . 50.5 t30 -79.51 44.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' ASN . 59.9 mtt180 34.76 40.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.8 t -72.47 -39.75 67.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -126.09 116.54 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' PHE . 14.9 p -76.42 144.54 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -87.92 -36.49 17.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -164.82 179.12 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -64.2 153.82 84.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.78 168.88 20.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.2 mt -117.86 149.13 41.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 14.2 m -109.53 79.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' HA ' ' A' ' 100' ' ' SER . 34.9 mt -43.62 -41.96 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 56.8 t -45.45 101.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.32 -38.62 2.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 2.2 m -67.88 -179.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -144.5 119.6 10.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 96' ' ' LEU . 50.4 t -88.06 129.29 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG23 HH11 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -131.83 138.81 33.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 111.157 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.7 92.7 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.423 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 3.6 t70 -106.59 76.29 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.3 Cg_endo -69.73 164.14 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -120.26 166.44 15.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.862 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.6 Cg_endo -69.73 3.48 2.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.401 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -124.86 -19.69 5.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -154.59 105.26 2.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.73 25.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.8 m-85 -125.92 40.82 3.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -121.32 139.51 53.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -135.2 153.43 51.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.54 HH11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.12 151.92 45.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.12 156.29 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.4 mt -139.51 154.45 47.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.888 ' HB2' HD11 ' A' ' 78' ' ' LEU . 59.8 t-80 -128.64 83.12 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 9.5 mtmt 75.06 33.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.7 -9.93 62.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 5.3 mp0 -94.6 153.22 17.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.81 131.36 35.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.888 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.9 mt -109.04 -47.32 3.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.29 174.67 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.613 ' HD3' HD22 ' A' ' 17' ' ' LEU . 28.7 tttp -152.65 117.24 5.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.01 HD12 HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -114.65 162.55 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -138.31 127.43 24.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -83.6 -174.44 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.064 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -39.53 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -136.46 169.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 5.6 t -59.24 -41.11 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.2 -36.78 85.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.558 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.8 tp10 -63.61 -53.03 57.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 6.3 ptm -55.93 -33.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.6 -28.26 73.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -82.42 -27.54 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 1.022 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.1 m95 -83.52 -42.52 16.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' PRO . 15.6 mt -51.19 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.65 -32.47 83.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.456 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 10' ' ' THR . 2.5 tp -61.84 -50.04 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.356 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.638 ' CB ' HG21 ' A' ' 57' ' ' VAL . 12.7 mt -68.1 -44.32 76.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.6 mt -53.89 -55.71 24.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.7 t -47.97 -39.29 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -70.15 -61.28 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 50.8 p -47.3 -62.22 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.69 91.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.3 t -100.15 -47.95 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.68 -74.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -14.71 36.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.4 p 44.0 44.15 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 m -77.26 143.07 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 56.72 44.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -101.93 136.35 41.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.08 117.05 4.33 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.36 -54.51 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -101.02 -20.72 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 109.56 -124.47 7.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.59 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.6 mm? -127.72 -178.49 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.727 0.299 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -112.81 161.58 16.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.4 p -47.09 -45.11 21.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -88.86 81.14 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -131.53 123.53 28.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -44.14 119.35 1.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.8 mt -120.46 159.43 25.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -89.5 108.15 19.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 18' ' ' VAL . 58.6 t -94.17 106.02 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.2 tp -47.63 126.58 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 16' ' ' VAL . 94.7 t -138.31 129.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 42.8 45.05 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t 62.4 36.64 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -149.52 123.95 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -71.92 104.6 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 1.3 mmmm -104.68 155.58 18.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -78.55 113.5 16.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HG23 ' A' ' 16' ' ' VAL . 12.4 tpp180 -135.26 153.18 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -98.95 116.63 31.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.26 138.97 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.5 t -143.36 124.94 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 99' ' ' GLU . 89.2 t -116.25 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -73.8 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 32' ' ' ASN . 19.1 t0 -96.12 84.86 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ASP . 33.5 m120 32.41 39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 26.3 m80 -145.92 147.77 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.8 tp -110.57 105.39 14.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 65.5 m-70 -87.19 159.24 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.31 122.0 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 42' ' ' ARG . 45.0 m-85 -120.39 169.28 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -109.37 -44.13 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.02 161.06 13.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -20.17 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 p30 -102.28 41.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.549 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 17.6 mtt85 35.77 38.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 t -46.55 -55.98 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -149.28 142.68 25.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ALA . 93.4 t -74.29 99.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -34.13 -48.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 12.5 pt20 -166.56 156.04 11.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 18.6 tt0 -35.92 142.06 0.31 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.698 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.2 Cg_endo -69.72 -178.27 2.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.28 . . . . 0.0 112.376 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ALA . 11.5 mt -120.38 153.21 36.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.471 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 32.2 t -109.93 80.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 mt -45.0 -27.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 48.0 t -49.84 102.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 109.44 -38.27 3.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.686 ' HB3' HG22 ' A' ' 71' ' ' ILE . 8.1 m -62.66 -179.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.932 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.0 tt0 -148.05 124.07 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.711 HG21 ' CB ' ' A' ' 96' ' ' LEU . 48.8 t -91.16 120.27 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 HG23 ' HG3' ' A' ' 70' ' ' ARG . 1.6 m -123.72 137.79 29.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.738 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.7 Cg_endo -69.73 91.38 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -106.66 76.6 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.0 Cg_endo -69.84 168.02 22.86 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.304 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -128.57 167.18 20.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 0.0 110.895 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.77 4.43 2.2 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 4.2 m-20 -125.62 -9.89 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 22.3 m-70 -168.57 107.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.1 mt -83.1 22.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.7 m-85 -124.76 46.99 2.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 p -129.83 130.66 45.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -123.29 163.38 20.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG3' HG23 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -139.14 156.01 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.686 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -107.8 142.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.2 mt -141.22 136.08 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.486 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.9 t-80 -113.34 88.94 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm 74.99 34.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.2 -10.25 69.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.0 tp10 -85.25 173.12 10.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 78' ' ' LEU . 57.0 tt0 -107.76 122.22 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -103.18 -49.57 3.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.483 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -168.1 176.09 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -149.0 119.11 7.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.651 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -115.09 163.33 15.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -142.9 132.9 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -92.89 -174.7 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HG2' ' CD ' ' A' ' 88' ' ' GLU . 8.4 ptmm? -99.02 -38.6 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.9 t -130.95 162.87 28.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 46.7 t -57.11 -43.62 82.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -58.97 -40.61 85.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 18.1 tt0 -60.44 -53.41 57.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.484 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -59.09 -31.0 68.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.484 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.76 -25.34 75.65 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -84.19 -28.59 27.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.779 ' CE2' HD11 ' A' ' 14' ' ' LEU . 57.2 m95 -82.33 -42.14 19.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.9 mt -47.0 -58.52 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -34.67 87.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.98 -54.33 47.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.711 ' CB ' HG21 ' A' ' 57' ' ' VAL . 33.1 mt -65.5 -49.07 70.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.46 -54.74 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 m -49.3 -47.74 46.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.43 ' HG3' HG11 ' A' ' 29' ' ' VAL . 52.4 mm-40 -64.85 -44.69 88.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 94.1 p -72.57 81.9 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.53 -109.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.4 m -111.16 161.24 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 152.66 65.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 1.94 3.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 m 62.78 40.33 10.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t 56.15 40.91 30.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -161.73 130.84 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 50.14 43.17 25.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -44.36 4.28 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -121.03 155.24 34.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.8 p -134.23 -44.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.63 76.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -107.47 167.99 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.596 ' N ' HD12 ' A' ' 8' ' ' LEU . 8.6 pt-20 -44.84 171.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 10' ' ' THR . 2.0 t -70.53 -24.97 62.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' HB2' ' CD ' ' A' ' 9' ' ' GLU . 38.3 m -70.61 88.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.474 ' OG ' HD11 ' A' ' 8' ' ' LEU . 5.2 m -136.16 171.29 14.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 24' ' ' SER . 2.0 t80 -89.78 117.0 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -124.14 161.38 25.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -98.77 108.62 21.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 81' ' ' LEU . 66.2 t -94.55 117.19 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 22' ' ' TRP . 19.4 tp -59.64 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -140.05 114.31 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 53.93 45.3 27.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t 64.3 36.51 9.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -146.81 125.08 12.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.514 ' CE2' HD13 ' A' ' 17' ' ' LEU . 97.8 m95 -78.83 102.21 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -109.55 134.73 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.48 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 49.4 p -58.2 120.54 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -136.59 147.38 46.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.466 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 2.2 t90 -90.86 100.45 13.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -87.58 134.01 33.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.73 112.31 5.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.1 t -94.77 131.6 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -159.62 147.2 16.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 28.4 t0 53.23 40.41 31.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.478 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.9 m120 59.11 43.32 17.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -151.83 144.6 24.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 3.4 tp -100.98 110.1 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 73.9 m-70 -94.0 159.08 15.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 77.8 m-85 -132.6 122.43 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 35.3 m-85 -125.33 164.46 20.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 66.4 mt-30 -113.67 -64.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.4 159.89 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -65.84 153.44 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.9 m120 66.48 39.37 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 15.9 mtp180 34.28 47.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -78.15 -56.39 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -95.8 123.59 39.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' ALA . 61.9 t -86.86 89.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' HG3' ' A' ' 38' ' ' GLN . . . -35.26 -53.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.01 173.32 16.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -55.6 154.43 12.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 11.9 mt -121.12 138.19 54.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.5 p -89.7 87.44 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.7 mt -58.11 -46.58 85.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 61.0 t -40.88 101.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.19 -41.86 1.76 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.1 m -69.02 -175.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.748 0.308 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -145.7 128.52 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' CB ' ' A' ' 96' ' ' LEU . 46.6 t -94.2 122.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -123.26 137.48 28.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.1 Cg_endo -69.71 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.468 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 18.3 t0 -106.76 76.34 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.77 159.89 51.73 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -117.04 167.47 10.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.76 2.92 3.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 0.0 112.322 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.55 -27.54 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -134.94 84.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.7 mt -59.17 -10.13 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 60.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 p -136.53 115.12 11.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.4 p90 -113.61 156.71 23.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 6.2 ptt180 -133.29 162.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 55' ' ' CYS . 6.9 mt -113.63 149.6 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.579 HD11 HG21 ' A' ' 58' ' ' VAL . 1.5 mt -141.93 139.11 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.905 ' HB2' HD11 ' A' ' 78' ' ' LEU . 21.9 t-160 -94.44 -71.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 16.7 mttt -124.89 39.78 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.55 -0.49 42.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.454 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -108.82 168.53 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -98.96 118.38 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 73' ' ' HIS . 97.6 mt -94.63 -49.33 5.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -146.36 166.44 26.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -146.58 107.37 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.031 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -106.67 159.09 16.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -137.34 131.23 31.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -88.39 -176.42 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -98.69 -35.85 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.8 t -137.33 153.11 50.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.8 t -46.65 -41.18 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -63.87 -41.31 97.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 4.4 tp10 -59.62 -53.35 59.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 14.3 ptm -57.85 -34.06 69.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.463 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.11 -28.74 73.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -79.84 -30.91 40.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.863 ' CE2' HD11 ' A' ' 14' ' ' LEU . 52.0 m95 -78.83 -40.92 31.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.73 -59.43 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.23 88.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.0 tp -60.37 -55.92 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.749 ' CB ' HG21 ' A' ' 57' ' ' VAL . 25.9 mt -62.1 -40.25 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.48 -50.47 69.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -50.92 -45.18 60.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 5.2 mm-40 -70.19 -45.63 66.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 98.4 p -80.59 81.8 6.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -138.54 -114.62 1.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t 65.11 45.69 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -112.01 141.68 16.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -0.21 6.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.4 m -73.5 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.5 t -87.04 109.95 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -163.83 139.63 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -164.01 168.28 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.64 -166.6 13.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -152.55 124.06 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -81.12 107.77 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 -22.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 12' ' ' SER . 1.0 OUTLIER -111.29 9.89 21.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' LEU . 39.7 mp0 -34.25 115.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' GLU . 73.1 p 35.91 46.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.8 t -175.68 105.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.535 ' HB2' HD12 ' A' ' 8' ' ' LEU . 3.3 t -156.83 173.33 17.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -91.17 96.89 10.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 14' ' ' LEU . 18.2 mt -101.72 175.86 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -126.2 113.59 17.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 81' ' ' LEU . 44.1 t -93.92 116.25 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.74 125.95 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 90.4 t -142.09 125.26 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 47.93 45.27 18.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.5 t 63.51 31.39 14.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' CB ' ' HE3' ' A' ' 23' ' ' LYS . 70.2 mt-30 -143.41 121.45 12.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.439 ' C ' ' HE2' ' A' ' 23' ' ' LYS . 96.9 m95 -68.26 108.19 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CG ' ' HB ' ' A' ' 18' ' ' VAL . 10.5 mmpt? -94.65 142.91 26.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -98.04 104.3 16.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -129.92 155.07 46.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t-105 -78.09 123.41 26.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.443 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 2.1 p -90.21 146.87 23.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.45 111.81 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -102.47 126.93 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.67 133.93 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t70 67.94 43.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.3 m120 53.24 44.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.8 m80 -152.86 138.93 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 35' ' ' HIS . 2.9 tp -95.25 108.1 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 79.6 m-70 -88.18 163.35 16.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.749 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 34.7 m-85 -124.09 131.54 53.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 84.9 m-85 -143.49 164.62 29.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -122.44 -60.77 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 22.0 p-10 -79.14 162.55 25.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.75 30.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ARG . 28.8 m120 -128.34 21.75 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' ASN . 63.7 mtm-85 35.28 45.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -113.15 -63.6 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -73.38 90.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' ALA . 89.0 t -72.52 97.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . -35.7 -41.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -174.87 156.8 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -40.3 159.18 0.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.713 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.81 166.48 27.53 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.1 mt -117.05 138.42 51.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.517 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 79.1 p -94.44 88.03 5.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.75 -43.43 98.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 82.1 t -44.0 97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.118 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.93 -38.68 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.437 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.525 ' HB3' HG22 ' A' ' 71' ' ' ILE . 14.1 m -68.7 177.76 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.81 0.338 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' LEU . 27.3 tt0 -138.65 127.48 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 96' ' ' LEU . 61.3 t -92.74 122.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -126.85 135.73 27.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.13 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.9 Cg_endo -69.71 90.64 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 21.5 t70 -106.73 76.73 0.45 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.68 164.42 34.54 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.353 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -124.31 166.75 18.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.2 Cg_endo -69.73 2.48 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -122.47 -17.74 6.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -156.6 104.99 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.02 10.66 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 1.3 m-85 -118.38 45.04 2.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 p -124.39 124.32 42.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.2 p90 -120.7 158.9 26.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 10.4 ptt180 -135.62 161.5 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' A' ' 79' ' ' ALA . 4.5 mt -115.76 147.77 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.5 mt -138.84 139.33 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -92.98 -75.06 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.803 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -120.91 41.19 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.82 -0.21 45.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 2.6 mm-40 -107.6 -176.26 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -109.58 118.12 35.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -92.58 -48.63 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -152.53 159.53 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -139.71 109.14 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -106.45 166.91 10.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -145.85 123.77 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -83.7 -174.98 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.58 -31.56 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -133.91 151.07 51.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.7 t -50.71 -42.85 57.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -62.78 -34.65 77.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.584 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 5.3 tt0 -66.06 -52.1 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.475 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 9.6 ptm -57.81 -31.69 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.51 -24.35 75.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -80.03 -29.9 39.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.649 ' CE3' HD23 ' A' ' 95' ' ' LEU . 79.5 m95 -83.07 -48.21 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.5 mt -36.69 -63.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.69 -37.28 94.48 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.649 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.2 tp -56.01 -49.74 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.758 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.6 mt -69.99 -43.59 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.07 -51.17 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -51.41 68.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.53 -39.67 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 97.2 p -81.06 47.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.89 103.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -80.41 101.62 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.58 83.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 166.2 28.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.6 p -113.99 153.33 29.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.2 p -45.49 -37.73 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -125.82 130.2 50.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.375 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -104.34 89.64 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 70.84 43.08 59.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 73.0 m 35.34 41.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.865 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -162.92 133.87 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.07 65.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 115.45 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.61 172.82 1.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -66.91 -43.65 82.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -79.19 96.11 5.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -132.55 133.17 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 33.4 p90 -60.27 103.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.961 HD11 ' CE2' ' A' ' 92' ' ' TRP . 29.8 mt -101.14 163.47 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -86.61 108.19 18.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 81' ' ' LEU . 31.0 t -98.21 106.46 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -49.48 129.62 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 16' ' ' VAL . 87.7 t -139.81 125.7 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 45.21 46.2 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.7 m 62.74 28.23 16.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -144.59 126.56 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -73.21 121.48 20.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -124.84 128.63 48.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.9 p -55.41 114.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.1 tpp180 -129.46 150.71 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.9 t90 -92.03 98.51 11.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -87.35 130.28 34.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -136.81 113.72 10.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -92.64 126.69 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -157.51 157.76 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.3 t70 42.95 39.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 27.8 m120 58.19 40.23 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 31.9 m80 -150.32 137.43 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.7 tp -95.47 105.54 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -87.44 163.53 16.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.524 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.9 m-85 -132.36 124.19 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 20.9 m-85 -129.55 168.74 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.65 -45.77 7.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -151.96 178.68 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . 33.8 ptt85 -36.17 -34.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ASP . 4.3 p-10 -73.05 65.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 22.4 mtm-85 -43.4 -39.72 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' ARG . 66.4 m -34.52 -42.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' C ' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -84.29 54.68 3.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' LYS . 59.4 t -37.27 135.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.42 73.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -174.83 168.2 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 11.0 tt0 -41.77 140.79 1.36 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.4 Cg_endo -69.79 -179.91 3.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.7 mt -119.1 140.26 50.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 64.7 p -98.67 79.25 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.814 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -49.22 -40.43 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 58.2 t -50.39 93.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.78 -32.06 3.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.549 ' HB3' HG22 ' A' ' 71' ' ' ILE . 11.7 m -75.53 -179.25 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -143.86 127.09 16.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.666 HG21 ' CB ' ' A' ' 96' ' ' LEU . 47.4 t -91.84 124.29 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -127.55 135.8 28.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.62 0.724 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.76 91.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.85 76.37 0.44 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.82 170.97 15.39 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.7 OUTLIER -130.72 166.64 25.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.72 1.93 3.96 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.579 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 26.8 t70 -122.05 -7.68 8.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.3 m-70 -171.92 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.64 22.39 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.67 45.15 2.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.8 t -125.92 126.63 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 6.8 p90 -125.12 153.78 42.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -133.54 163.14 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.549 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.5 mt -113.8 148.75 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 58' ' ' VAL . 0.8 OUTLIER -141.19 142.02 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.557 ' HB2' HD11 ' A' ' 78' ' ' LEU . 10.9 t-160 -99.7 -65.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.8 41.4 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 -5.51 57.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -100.34 -178.95 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 110.913 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -116.09 116.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 73' ' ' HIS . 88.0 mt -88.39 -49.97 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -142.67 169.49 17.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -147.21 110.95 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 16' ' ' VAL . 1.2 mm? -111.37 160.85 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.87 131.38 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -89.07 -173.91 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 -39.35 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.1 t -130.03 169.39 15.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' MET . 41.8 t -62.51 -43.67 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.19 -40.71 94.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -58.94 -54.4 47.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.2 ptm -55.81 -33.68 64.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.464 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -65.91 -28.61 73.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.443 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -78.07 -29.2 49.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.961 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.3 m95 -82.0 -42.49 19.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.4 mt -46.46 -59.31 3.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.85 85.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.414 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -59.91 -53.52 56.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.666 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.6 mt -66.32 -44.39 83.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -53.36 -48.98 68.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.8 t -51.57 -40.74 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.08 -52.87 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 102' ' ' SER . 50.9 p -73.64 122.17 21.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.57 93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' SER . 22.7 p -87.65 -18.25 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.954 0.407 . . . . 0.0 110.859 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -170.05 172.76 43.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.0 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.283 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.6 t 39.26 43.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.8 t -88.23 81.2 7.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -108.67 -48.13 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -74.73 107.21 6.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.1 77.57 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -73.55 94.81 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -159.82 144.7 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 163.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.5 tp -109.98 136.74 48.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.741 0.305 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.69 175.86 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.6 p -66.06 -37.02 84.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.6 m -78.02 86.89 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -125.12 111.97 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -39.05 116.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' ' 92' ' ' TRP . 19.9 mt -123.9 164.92 18.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.9 107.0 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.921 HG22 HD12 ' A' ' 81' ' ' LEU . 83.7 t -93.05 112.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' HD3' ' A' ' 80' ' ' LYS . 22.1 tp -54.74 128.06 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' VAL . 93.4 t -136.33 116.87 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 45.66 54.75 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m 56.31 37.64 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -150.28 125.53 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -79.36 104.76 10.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -113.6 153.37 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.1 p -70.41 134.2 47.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.646 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -151.27 141.76 22.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 13.0 t-105 -83.2 106.39 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.2 p -89.22 129.94 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -140.02 115.37 9.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -100.2 127.47 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 3.7 tpm_? -160.73 147.74 15.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.0 t0 53.13 40.02 30.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.2 m120 57.81 38.65 27.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -146.18 137.12 24.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HG ' ' CZ ' ' A' ' 36' ' ' PHE . 5.4 tp -96.96 102.7 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 21.3 m-70 -88.4 165.44 14.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 63.0 m-85 -137.45 133.4 34.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 16.1 m-85 -137.47 168.25 20.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' NE2' ' NH1' ' A' ' 25' ' ' ARG . 4.0 mm-40 -106.03 -51.78 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 43' ' ' SER . 1.0 OUTLIER -62.46 171.27 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.584 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 3.7 mpt_? -72.64 -58.68 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.5 m-80 -84.42 48.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 17.8 mtp-105 36.07 46.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' ASP . 45.5 t -72.91 -51.43 18.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -117.83 114.96 24.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.36 150.76 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -92.24 -35.58 13.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.086 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -176.62 169.37 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.499 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tt0 -46.38 141.45 4.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.517 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.81 170.96 15.41 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.693 2.262 . . . . 0.0 112.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 17.1 mt -114.96 147.61 39.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.2 m -105.63 78.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' C ' ' HA ' ' A' ' 100' ' ' SER . 18.1 mt -43.53 -28.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 52.6 t -57.89 102.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.564 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 109.44 -5.66 31.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.608 ' HB3' HG22 ' A' ' 71' ' ' ILE . 6.8 m -95.85 178.84 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 72' ' ' LEU . 17.0 tt0 -144.71 119.09 9.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 96' ' ' LEU . 39.3 t -88.72 123.36 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -124.15 135.79 26.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.621 0.724 . . . . 0.0 111.153 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.3 Cg_endo -69.76 92.96 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CG ' ' NH1' ' A' ' 70' ' ' ARG . 16.9 t70 -106.65 76.03 0.41 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.73 164.31 34.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -125.11 166.75 18.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.76 2.38 3.59 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 2.9 m-20 -122.8 -10.09 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.3 m-70 -168.98 106.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -83.01 26.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.6 m-85 -127.84 47.78 2.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 11.4 p -130.23 133.96 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.0 p90 -128.88 165.56 20.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 60' ' ' ASP . 4.7 ptp85 -142.49 160.19 40.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.4 mt -111.31 142.89 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLU . 6.9 mt -135.28 144.33 46.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.771 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.6 t-80 -129.44 95.19 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.9 mttt 74.85 27.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.87 6.47 65.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -106.23 150.9 25.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -87.24 130.07 34.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' ' 73' ' ' HIS . 85.8 mt -110.74 -46.46 3.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.62 177.66 7.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' C ' HD13 ' A' ' 81' ' ' LEU . 29.9 tttp -152.54 121.18 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.921 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -114.54 162.93 16.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 3.6 tt0 -143.22 129.24 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -87.77 -174.73 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -104.25 -30.24 10.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 p -136.05 153.22 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 84.9 p -51.33 -41.85 60.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.46 -42.36 96.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.684 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 16.1 tt0 -57.91 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 4.6 ptm -58.04 -30.91 66.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -73.02 -24.74 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -82.84 -26.34 31.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.537 ' CE2' HD11 ' A' ' 14' ' ' LEU . 58.0 m95 -86.34 -47.15 9.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 97' ' ' LEU . 12.8 mt -39.86 -59.43 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.66 -35.25 90.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.32 -62.05 2.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.567 ' CB ' HG21 ' A' ' 57' ' ' VAL . 36.4 mt -54.27 -44.05 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 93' ' ' LEU . 19.6 mt -56.98 -48.92 77.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -56.07 -46.6 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.6 -48.99 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.419 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 94.1 p -55.75 -44.45 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.18 80.35 0.86 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.6 p -91.37 89.37 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 163.9 165.22 20.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 95.1 p -80.38 138.46 36.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 m -138.68 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -124.51 119.7 29.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -88.05 166.36 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 39.68 42.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -123.39 172.61 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.32 123.02 2.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 tp -126.48 126.42 43.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.305 . . . . 0.0 110.953 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.32 165.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.0 p -49.06 -46.84 45.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.1 p -67.93 104.06 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 p -132.73 170.55 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.5 p90 -93.13 97.95 10.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.992 HD11 ' CE2' ' A' ' 92' ' ' TRP . 41.7 mt -102.32 176.69 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -104.64 108.06 19.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG22 HD12 ' A' ' 81' ' ' LEU . 41.6 t -93.92 113.15 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD22 ' HD3' ' A' ' 80' ' ' LYS . 16.8 tp -51.62 131.23 29.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' VAL . 55.7 t -140.16 115.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.75 50.52 18.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m 59.57 37.65 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -148.39 125.97 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CE2' HD13 ' A' ' 17' ' ' LEU . 98.9 m95 -79.48 102.33 8.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -110.84 132.68 53.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.6 p -56.61 126.82 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HB3' HG23 ' A' ' 16' ' ' VAL . 15.9 tpp180 -142.97 150.96 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.0 t90 -95.19 103.22 15.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.6 139.16 30.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.02 115.49 9.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.3 t -98.2 134.65 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -174.69 142.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 63.64 34.68 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 26.4 m120 60.04 41.76 16.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 32' ' ' ASN . 52.5 m80 -154.09 135.51 14.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 9.4 tp -95.25 105.21 17.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 36.7 m-70 -90.62 162.18 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.5 m-85 -128.52 145.18 51.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 47.8 m-85 -145.94 169.99 17.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 38' ' ' GLN . 5.6 mp0 -115.94 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.02 170.02 10.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -72.15 166.19 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ARG . 23.7 m-20 55.39 40.59 31.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.554 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 27.7 mtm105 34.41 52.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -64.58 -49.77 69.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.479 ' HD2' ' NE2' ' A' ' 38' ' ' GLN . 10.5 tmtt? -137.32 148.14 46.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 93.2 t -97.58 119.04 45.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' N ' ' OE1' ' A' ' 38' ' ' GLN . . . -64.47 -48.61 74.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -152.49 157.11 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -46.51 159.25 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.6 Cg_endo -69.78 164.03 36.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -116.99 147.8 41.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -107.35 100.53 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -65.28 -36.54 84.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -42.28 102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.05 -43.5 1.69 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.564 ' HB3' HG22 ' A' ' 71' ' ' ILE . 3.6 m -59.3 175.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 72' ' ' LEU . 33.3 tt0 -142.33 122.53 13.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.3 t -88.27 117.5 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -121.04 136.43 25.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.597 0.713 . . . . 0.0 111.099 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.74 90.73 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.258 . . . . 0.0 112.36 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -106.91 75.85 0.42 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.546 0.689 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.7 Cg_endo -69.77 160.24 50.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -112.72 167.39 9.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.867 -179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.9 Cg_endo -69.78 1.1 4.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.24 -24.36 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -142.72 102.9 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -81.88 22.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.0 m-85 -126.09 39.99 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 p -123.57 133.78 53.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.9 p90 -128.5 158.33 38.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HE ' HD21 ' A' ' 72' ' ' LEU . 11.2 ptm180 -135.66 159.41 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.564 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.5 mt -111.12 147.52 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 76' ' ' GLU . 1.1 mt -144.21 137.92 27.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.475 ' HB2' HD11 ' A' ' 78' ' ' LEU . 1.8 t-80 -97.89 -70.02 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG2' ' ND1' ' A' ' 73' ' ' HIS . 7.1 mtpp -120.58 46.19 2.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.3 5.31 65.61 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.9 mt-10 -110.32 174.53 5.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 67.1 tt0 -111.42 116.0 30.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.2 mt -91.94 -49.63 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' ' 71' ' ' ILE . . . -143.99 164.55 30.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.737 ' HD3' HD22 ' A' ' 17' ' ' LEU . 22.7 tttp -147.94 113.7 5.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.825 HD12 HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -111.2 160.48 16.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -141.21 123.44 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.05 -174.84 5.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -102.8 -36.67 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.9 p -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 52.1 p -60.76 -40.03 90.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.15 -38.58 91.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 24.0 tt0 -62.34 -53.41 55.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 5.7 ptm -56.16 -31.33 63.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.48 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.62 -24.33 76.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -80.64 -29.73 36.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.992 ' CE2' HD11 ' A' ' 14' ' ' LEU . 55.5 m95 -82.92 -47.32 11.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.6 mt -39.57 -61.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.46 82.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.639 HD23 ' CE3' ' A' ' 92' ' ' TRP . 5.1 tp -60.55 -51.97 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.856 ' CB ' HG21 ' A' ' 57' ' ' VAL . 15.8 mt -68.08 -51.63 44.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.7 mt -40.69 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 t -48.5 -59.49 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -54.46 -45.84 73.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.4 p -77.13 48.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.38 142.74 13.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.7 t -154.62 120.9 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.72 160.11 51.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 0.89 5.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.694 2.262 . . . . 0.0 112.302 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 m -119.35 133.93 55.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.0 t -45.21 -52.36 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 40.41 41.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -85.58 -57.64 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.32 67.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -82.27 -59.1 2.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -106.29 168.36 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.23 104.88 2.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 tp -41.38 110.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -97.26 166.12 11.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.1 p -41.13 -43.67 2.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.1 p -76.87 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.3 m -113.02 -175.4 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.44 96.59 8.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 92' ' ' TRP . 12.3 mt -103.14 166.57 10.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -111.21 108.28 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HD12 ' A' ' 81' ' ' LEU . 46.4 t -91.81 114.27 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 22' ' ' TRP . 18.2 tp -46.49 125.27 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 16' ' ' VAL . 92.3 t -134.94 116.14 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 46.55 48.45 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 62.47 35.48 14.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -146.57 121.66 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 96.7 m95 -77.31 117.83 19.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -128.3 149.37 50.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.8 p -69.24 133.32 47.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 12.2 tpp180 -140.44 146.65 38.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 40' ' ' ARG . 17.5 t-105 -79.25 95.62 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.535 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 19.8 p -86.0 130.64 34.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 m -138.15 112.1 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 95' ' ' LEU . 77.6 t -81.65 142.47 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' ASP . 3.1 ttt85 -143.09 -175.03 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -35.95 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 33.3 m120 35.43 37.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 35.8 m80 -149.04 131.51 15.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 35' ' ' HIS . 3.4 tp -96.52 115.82 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 34' ' ' LEU . 40.7 m-70 -99.63 155.57 17.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -128.82 148.3 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 61.8 m-85 -149.75 170.3 19.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -111.83 -52.68 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.22 -178.34 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 78.2 mtp180 -81.77 -52.27 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.3 m120 -83.0 42.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ASN . 73.1 mtt180 33.97 41.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -78.84 -49.06 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -110.86 91.88 3.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 36' ' ' PHE . 14.9 p -62.45 145.51 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.1 -35.89 23.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.421 ' H ' HG22 ' A' ' 45' ' ' VAL . 9.1 pt20 -172.84 175.51 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -60.01 162.66 9.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.5 Cg_endo -69.79 172.96 11.71 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 10.9 mt -119.25 138.65 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.9 p -97.67 75.24 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.5 mt -46.57 -37.24 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.0 t -47.04 100.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 118.46 -39.44 2.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.563 ' HB3' HG22 ' A' ' 71' ' ' ILE . 5.0 m -68.05 -179.23 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.3 tt0 -146.41 126.02 13.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 96' ' ' LEU . 58.1 t -90.66 123.11 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.06 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -127.05 137.75 31.26 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.151 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.83 90.67 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.68 76.51 0.43 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.74 172.75 12.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -132.83 166.76 26.76 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.72 4.37 2.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.341 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 72.1 m-20 -127.13 -4.68 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 27.3 m-70 -172.32 105.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.86 30.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.92 33.32 3.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.4 p -115.64 131.2 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -125.08 157.61 35.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HE ' HD21 ' A' ' 72' ' ' LEU . 13.2 ptm180 -136.69 160.65 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.563 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -111.57 147.28 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.569 HD21 ' HE ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -143.44 142.07 31.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.593 ' CE1' ' HE2' ' A' ' 74' ' ' LYS . 16.6 t-160 -98.49 -69.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.593 ' HE2' ' CE1' ' A' ' 73' ' ' HIS . 18.5 mttt -123.69 41.72 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.13 3.43 55.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.491 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 72' ' ' LEU . 7.8 mt-10 -108.99 173.45 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.784 0.325 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.4 tt0 -112.53 117.93 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.405 HD12 ' SG ' ' A' ' 55' ' ' CYS . 75.6 mt -93.91 -48.69 6.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.93 165.28 28.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' C ' HD13 ' A' ' 81' ' ' LEU . 18.8 tttp -147.29 114.2 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.899 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.06 162.41 14.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.3 tt0 -142.22 134.69 28.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -97.91 -174.05 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 85' ' ' SER . 9.9 ptpp? -94.17 -37.52 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 35.7 t -139.92 169.83 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -62.08 -34.52 76.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.98 -31.78 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 3.5 tp10 -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.6 ppp? -63.72 -35.31 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.56 -24.57 72.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -82.19 -28.84 31.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.751 ' CE3' HD23 ' A' ' 95' ' ' LEU . 68.3 m95 -81.62 -39.3 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.4 mt -45.96 -60.64 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.71 -32.06 80.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.751 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.2 tp -64.0 -37.71 88.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.725 ' CB ' HG21 ' A' ' 57' ' ' VAL . 42.1 mt -86.72 -39.16 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 57' ' ' VAL . 36.3 mt -55.99 -57.19 13.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.9 t -48.51 -47.77 38.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.02 -46.21 85.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 102' ' ' SER . 88.4 p -74.1 114.41 12.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.823 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.72 86.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 100' ' ' SER . 36.4 t -78.5 134.96 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.913 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 141.39 149.35 5.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.21 53.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p 40.71 43.01 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.1 t -94.59 -43.4 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -85.61 42.3 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -41.68 109.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.89 161.84 30.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -98.33 157.88 15.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -87.76 -56.75 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.22 49.95 61.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -71.84 121.88 19.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -54.28 155.25 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.42 HG22 ' CD1' ' A' ' 95' ' ' LEU . 20.0 p -52.07 -30.13 24.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 t -72.06 112.42 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 p -166.17 153.35 9.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -85.13 104.93 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.944 HD11 ' CE2' ' A' ' 92' ' ' TRP . 28.5 mt -99.14 163.42 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -96.82 107.63 20.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.98 HG22 HD12 ' A' ' 81' ' ' LEU . 52.0 t -98.37 108.11 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD22 ' HD3' ' A' ' 80' ' ' LYS . 33.9 tp -45.04 126.7 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.894 HG12 HD22 ' A' ' 19' ' ' ASN . 87.8 t -141.34 131.96 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.894 HD22 HG12 ' A' ' 18' ' ' VAL . 8.4 p30 46.83 49.96 13.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.2 t 53.2 25.01 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -139.11 126.03 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 82' ' ' GLU . 98.6 m95 -73.02 119.29 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -122.95 170.46 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -92.6 120.5 33.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 1.7 tpm_? -138.78 150.61 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.479 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 1.8 t90 -96.43 111.52 23.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 34' ' ' LEU . 1.8 m -102.04 131.2 48.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -132.19 116.65 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.81 131.96 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 12.5 tpp180 -161.86 146.99 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 12.1 t70 50.22 37.54 15.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.7 m120 61.59 41.23 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 19.4 m80 -151.07 138.12 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.62 HD11 ' SG ' ' A' ' 27' ' ' CYS . 1.7 tp -97.28 102.2 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HB3' ' A' ' 49' ' ' PRO . 48.8 m-70 -87.39 147.68 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' HE2' HG11 ' A' ' 16' ' ' VAL . 17.2 m-85 -109.02 129.31 55.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.87 ' CE1' HG12 ' A' ' 45' ' ' VAL . 91.6 m-85 -129.01 165.43 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 25' ' ' ARG . 33.8 mt-30 -107.02 -63.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -82.41 176.37 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -93.55 34.56 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 42' ' ' ARG . 6.2 m120 -131.02 29.6 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 41' ' ' ASN . 60.2 mtm180 33.93 42.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.5 t -127.72 152.24 47.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER 55.58 47.36 20.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG12 ' CE1' ' A' ' 37' ' ' TYR . 5.3 m -34.63 137.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.18 72.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -175.39 172.19 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -43.31 140.76 2.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.521 ' HB3' ' CG ' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 13.0 mt -119.04 153.13 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.524 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 80.2 p -108.32 72.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -41.24 -41.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.1 t -47.82 95.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.55 -42.85 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.665 ' HB3' HG22 ' A' ' 71' ' ' ILE . 13.4 m -63.46 177.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.4 tt0 -141.61 119.34 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 96' ' ' LEU . 29.0 t -89.47 118.38 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -121.16 137.96 27.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 111.114 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.0 Cg_endo -69.77 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -106.64 76.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.71 165.25 31.54 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -121.3 166.81 14.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 110.835 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.69 4.34 2.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -125.14 -23.32 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -151.26 105.18 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 4.8 mt -81.71 24.74 0.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.9 m-85 -126.77 41.43 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 p -126.34 131.45 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 4.0 p90 -123.79 166.0 16.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HD3' HD21 ' A' ' 72' ' ' LEU . 1.2 ptp180 -140.33 157.62 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.665 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.7 mt -111.2 142.66 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 77' ' ' GLU . 1.5 mt -142.83 138.72 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.562 ' CE1' ' HE3' ' A' ' 74' ' ' LYS . 14.8 t-160 -93.84 -73.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 73' ' ' HIS . 15.0 mttp -121.12 44.45 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.38 -0.01 58.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -107.01 159.13 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.626 ' HA ' HD23 ' A' ' 72' ' ' LEU . 50.9 tt0 -98.27 118.7 35.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 73' ' ' HIS . 52.1 mt -93.7 -48.08 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.79 172.85 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HD3' HD22 ' A' ' 17' ' ' LEU . 15.3 tttp -151.72 114.54 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -109.18 165.72 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' HB3' ' CZ3' ' A' ' 22' ' ' TRP . 4.3 tt0 -144.84 124.77 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.798 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -84.0 -174.71 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' SER . 14.4 ptmt -97.31 -39.35 9.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 44.7 t -136.91 163.44 30.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 t -51.33 -39.95 58.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -63.38 -45.64 90.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.798 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 6.2 tt0 -56.06 -54.06 49.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.5 ptm -58.1 -33.45 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.5 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -70.01 -26.7 73.99 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -81.06 -29.76 34.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.7 m95 -82.39 -43.58 17.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 93' ' ' LEU . 14.8 mt -43.27 -61.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.3 -35.94 92.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.8 tp -58.51 -43.53 89.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' CB ' HG21 ' A' ' 57' ' ' VAL . 19.1 mt -76.89 -49.71 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.65 -54.36 12.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -47.93 -39.59 19.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -74.48 -46.35 40.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 91.1 p -74.37 108.02 6.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.49 112.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.1 p -89.75 42.13 1.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.5 94.12 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' SER . 54.0 Cg_endo -69.73 2.55 3.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.0 t -47.76 93.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 104' ' ' PRO . 39.6 p -92.85 43.05 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 p -132.36 166.02 22.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -100.21 107.48 19.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 -151.7 6.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -92.89 134.39 35.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 t -119.49 164.03 16.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.61 70.47 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.422 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 36.2 tp -154.06 107.44 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.33 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' THR . 7.3 tt0 -67.26 150.11 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' GLU . 71.8 p -34.02 -49.66 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.9 p -53.84 124.78 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 m -160.6 167.01 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 24' ' ' SER . 0.6 OUTLIER -93.1 117.57 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.945 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.899 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.6 mt -122.55 170.33 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -103.15 107.76 18.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG22 HD12 ' A' ' 81' ' ' LEU . 99.9 t -91.72 118.43 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD3' ' A' ' 80' ' ' LYS . 12.8 tp -52.68 138.83 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 16' ' ' VAL . 85.9 t -141.92 106.2 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 51.68 51.67 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m 63.32 34.61 13.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -149.12 124.19 10.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 99.2 m95 -74.33 109.65 7.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -115.89 123.85 49.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.508 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 62.7 m -50.61 120.71 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 0.3 OUTLIER -145.07 147.74 32.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.496 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 t-105 -79.27 138.89 37.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.0 m -131.93 127.02 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.48 129.56 35.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.533 HG11 ' CD ' ' A' ' 99' ' ' GLU . 38.1 t -103.81 130.93 53.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 141.46 21.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.7 t0 46.83 40.06 8.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 34.5 m120 62.52 48.25 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 27.1 m80 -152.06 132.83 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 35' ' ' HIS . 5.2 tp -97.23 114.29 26.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 49' ' ' PRO . 36.1 m-70 -100.07 170.27 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 45' ' ' VAL . 2.7 m-85 -133.27 140.63 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 35.1 m-85 -140.02 170.36 16.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.677 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 12.2 mt-30 -108.82 34.38 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' HA ' ' CE3' ' A' ' 26' ' ' TRP . 3.3 t70 67.68 38.78 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.4 41.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 m120 51.38 40.54 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 37' ' ' TYR . 11.6 mtp-105 59.37 43.38 16.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.3 m -121.58 -42.3 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -107.85 75.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 36' ' ' PHE . 11.6 p -49.39 143.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB2' ' CG ' ' A' ' 38' ' ' GLN . . . -98.1 -32.78 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -146.76 163.23 36.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.28 160.15 43.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.8 Cg_endo -69.79 162.2 42.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 50' ' ' LEU . 9.8 mt -119.34 133.24 55.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 91.0 p -89.54 80.47 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' C ' ' HA ' ' A' ' 100' ' ' SER . 64.0 mt -51.37 -42.06 61.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 62.1 t -45.98 105.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.26 -34.93 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.6 m -67.93 174.33 3.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -138.19 124.89 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 96' ' ' LEU . 43.8 t -89.24 124.88 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.23 135.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.599 0.714 . . . . 0.0 111.151 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.8 Cg_endo -69.69 90.84 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 0.0 112.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' A' ' 70' ' ' ARG . 8.8 t0 -106.78 76.32 0.43 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.1 Cg_endo -69.7 175.62 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.441 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -135.92 167.04 23.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 0.0 110.876 -179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.78 4.74 2.02 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 10.9 m-20 -126.9 -7.65 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 21.6 m-70 -168.67 105.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.97 32.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 2.8 m-85 -133.64 26.86 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -106.28 127.85 53.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.816 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 10.2 p90 -124.72 156.7 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' CB ' ' A' ' 60' ' ' ASP . 2.1 ptt180 -140.62 156.34 46.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -105.85 153.88 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 58' ' ' VAL . 5.8 mt -138.95 151.76 47.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.96 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.875 ' HB2' HD21 ' A' ' 78' ' ' LEU . 58.6 t-80 -124.88 82.93 2.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 18.6 mtmt 75.0 28.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.57 -8.01 51.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 6.5 mp0 -93.1 158.07 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -92.24 131.69 37.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.1 mt -111.62 -48.9 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.52 178.3 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.664 ' HD3' HD22 ' A' ' 17' ' ' LEU . 43.9 tttt -152.77 118.39 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD12 HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -112.13 170.39 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.2 tp10 -145.33 141.15 28.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.87 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -100.92 -175.81 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -98.29 -30.32 12.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.7 p -143.84 162.61 35.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 t -53.83 -37.53 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.87 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -57.2 -53.35 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 8.0 ptm -57.1 -31.67 65.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.478 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -69.72 -25.12 75.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -80.95 -29.72 35.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE2' HD11 ' A' ' 14' ' ' LEU . 60.8 m95 -85.58 -36.61 20.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -50.23 -63.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.72 -34.08 87.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.492 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -49.19 78.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.991 ' HB2' HG21 ' A' ' 57' ' ' VAL . 24.1 mt -69.89 -37.2 75.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.16 -50.85 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.0 m -66.68 -43.31 84.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.533 ' CD ' HG11 ' A' ' 29' ' ' VAL . 35.2 mt-10 -63.24 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.424 ' HA ' ' C ' ' A' ' 52' ' ' LEU . 97.8 p -87.14 43.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.799 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 43.07 66.78 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 t -58.29 -61.96 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 88.61 -113.61 4.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.93 5.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.8 m -107.81 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -65.91 145.06 56.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -81.04 43.52 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -115.85 126.37 53.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 -159.1 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.2 p -113.33 41.76 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -45.61 -50.91 12.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.52 106.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tt -118.46 92.8 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -109.51 105.07 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 p 38.66 36.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.4 p -148.56 119.49 7.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.798 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.96 154.12 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -72.58 101.84 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD11 ' CE2' ' A' ' 92' ' ' TRP . 23.5 mt -105.08 157.96 16.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -94.14 108.92 20.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG22 ' CD1' ' A' ' 81' ' ' LEU . 68.1 t -94.29 112.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 22' ' ' TRP . 30.6 tp -58.96 131.07 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.5 t -142.92 123.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 47.78 46.65 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m 60.14 39.55 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.63 133.11 18.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.467 ' CE2' HD13 ' A' ' 17' ' ' LEU . 96.8 m95 -89.09 103.33 15.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -118.74 127.04 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 m -49.11 128.72 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -147.66 149.68 32.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -85.21 134.89 34.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.9 m -126.11 128.06 46.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -128.59 120.93 27.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.22 125.14 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 ttt85 -163.43 152.82 14.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 48.55 34.71 5.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.3 m120 61.4 41.15 13.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 37.2 m80 -149.02 136.32 20.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' LEU . 8.2 tp -100.47 103.11 14.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 27.3 m-70 -87.28 166.53 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 8.1 m-85 -130.36 139.84 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' O ' ' CD ' ' A' ' 25' ' ' ARG . 38.3 m-85 -139.44 166.32 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 39' ' ' ASP . 45.0 mt-30 -108.89 59.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' GLN . 4.6 t0 35.42 41.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -112.48 39.27 2.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.5 t30 60.63 40.66 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 42.2 mtm180 51.33 41.05 27.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.2 m -101.15 -62.41 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.814 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -95.31 112.88 24.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.44 123.01 22.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.47 -44.59 76.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 pt20 -170.27 167.1 8.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 15.6 tt0 -38.11 140.66 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.571 0.7 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.3 Cg_endo -69.82 171.57 14.3 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.7 mt -113.71 146.66 39.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.481 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 1.4 t -101.37 66.3 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 34' ' ' LEU . 29.4 mt -39.27 -31.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 53' ' ' VAL . 7.1 p -54.17 101.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.56 -37.45 3.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.533 ' HB3' HG22 ' A' ' 71' ' ' ILE . 15.1 m -63.32 177.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' LEU . 16.5 tt0 -144.35 121.59 11.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.861 HG21 ' CB ' ' A' ' 96' ' ' LEU . 6.0 t -89.24 127.39 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.01 140.64 39.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.79 90.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.313 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -106.77 77.18 0.47 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.6 Cg_endo -69.78 176.95 6.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.495 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -144.53 169.63 9.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.868 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.0 Cg_endo -69.72 4.79 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 33.8 m-20 -124.75 -20.74 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 2.3 m80 -154.7 105.08 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.7 13.69 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 86' ' ' SER . 2.9 m-85 -125.59 41.78 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.4 p -118.3 124.08 46.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 11.7 p90 -120.02 156.49 30.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -136.13 157.5 46.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.0 mt -107.51 148.53 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.8 mt -141.18 139.49 33.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.493 ' CB ' HD21 ' A' ' 78' ' ' LEU . 42.1 t-80 -117.36 86.8 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 74.98 39.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.48 -5.85 84.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -92.99 152.05 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HA ' HD23 ' A' ' 72' ' ' LEU . 62.0 tt0 -85.58 124.32 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -104.53 -50.03 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -167.99 177.12 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' HD2' ' CZ ' ' A' ' 70' ' ' ARG . 27.3 tttp -146.33 116.77 7.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.784 ' CD1' HG22 ' A' ' 16' ' ' VAL . 2.8 mm? -112.09 162.27 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -140.72 135.86 32.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.92 -174.52 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 85' ' ' SER . 15.7 ptmt -98.79 -35.37 10.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 40.8 t -139.42 156.52 46.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.423 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . 9.8 t -47.35 -41.24 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -62.65 -44.72 95.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.825 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 2.9 tp10 -56.16 -52.5 64.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.4 ptm -59.88 -33.65 72.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.93 -28.3 73.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -79.49 -31.57 42.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.926 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.7 m95 -79.13 -43.53 23.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' CE ' ' A' ' 89' ' ' MET . 27.0 mt -43.98 -57.6 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.96 -34.75 77.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.25 -55.97 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.861 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.4 mt -62.49 -42.98 99.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.81 -49.93 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.3 p -51.53 -44.19 62.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.2 -46.92 60.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 92.6 p -72.31 94.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 174.7 114.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 t -74.93 102.11 4.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.17 -157.72 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.6 18.53 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.8 m -94.93 -44.62 7.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.8 m -98.69 138.37 35.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -44.72 146.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -125.64 42.04 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 157.15 46.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -118.54 121.25 39.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -154.04 161.58 41.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.83 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD21 ' OG ' ' A' ' 12' ' ' SER . 2.8 pp -105.72 -177.12 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.771 0.32 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -70.97 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -166.06 -176.6 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.72 ' H ' HG22 ' A' ' 10' ' ' THR . 3.7 m 74.33 50.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' HD21 ' A' ' 8' ' ' LEU . 1.9 m -115.51 134.76 54.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -44.12 109.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 27' ' ' CYS . 11.3 mt -112.94 171.13 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -104.95 108.07 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 81' ' ' LEU . 45.9 t -98.95 112.07 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.6 tp -64.16 132.39 50.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.29 -78.07 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -111.78 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m 61.87 25.04 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -151.99 158.92 43.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' ' 82' ' ' GLU . 85.7 m95 -95.7 110.31 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HE2' ' C ' ' A' ' 22' ' ' TRP . 9.9 mmpt? -98.37 135.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -62.29 98.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 12.9 tpp85 -125.25 149.57 47.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 27' ' ' CYS . 5.9 t-105 -82.58 154.03 25.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 26' ' ' TRP . 7.8 p -134.45 142.14 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 t -145.16 119.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' HB ' HG21 ' A' ' 10' ' ' THR . 46.4 t -105.22 117.33 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -166.96 142.79 4.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 t70 64.31 33.26 11.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m120 58.84 39.26 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 29.1 m80 -150.25 133.9 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 2.9 tp -95.71 104.18 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 50.7 m-70 -87.01 164.9 16.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 54.2 m-85 -134.4 131.57 38.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 42' ' ' ARG . 36.2 m-85 -130.07 163.43 26.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -90.89 -44.51 9.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.72 162.89 24.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 26' ' ' TRP . 26.0 ptt-85 -52.28 -42.2 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' ARG . 3.4 p-10 -72.69 70.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 46.1 mtp180 -34.52 106.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.1 m -134.83 -46.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -125.04 91.69 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' ALA . 62.1 t -45.1 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -33.79 -43.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 45' ' ' VAL . 14.2 pt20 -167.72 160.95 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 34.0 tt0 -39.19 140.49 0.72 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 53.8 Cg_endo -69.8 174.48 9.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -114.89 150.21 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' VAL . 5.5 t -110.42 71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 51' ' ' SER . 66.2 mt -32.07 -36.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' SER . 43.2 t -48.13 109.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 105.28 -39.6 2.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.562 ' HB3' HG22 ' A' ' 71' ' ' ILE . 4.9 m -66.2 -178.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 72' ' ' LEU . 39.0 tt0 -151.09 124.65 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.751 HG21 ' CB ' ' A' ' 96' ' ' LEU . 49.0 t -89.25 122.49 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 72' ' ' LEU . 0.8 OUTLIER -127.46 139.06 34.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 111.144 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.4 Cg_endo -69.79 90.6 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.78 76.8 0.45 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.3 Cg_endo -69.84 178.09 4.97 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.641 2.227 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.57 167.8 15.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.81 3.91 2.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.63 -12.34 6.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -163.88 106.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.47 21.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.41 41.03 3.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.0 p -120.31 119.13 32.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 3.6 p90 -115.07 155.27 27.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -135.56 159.47 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 55' ' ' CYS . 2.8 mt -109.87 147.76 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD11 HG21 ' A' ' 58' ' ' VAL . 0.9 OUTLIER -141.92 143.3 33.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.974 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 11.7 t-160 -100.73 -67.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 7.8 mmmt -123.82 41.81 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.97 -5.67 58.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 72' ' ' LEU . 4.9 mt-10 -99.17 176.03 5.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' HA ' HD23 ' A' ' 72' ' ' LEU . 45.5 tt0 -112.93 120.23 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.41 -48.45 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.61 164.17 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 17' ' ' LEU . 55.7 tttt -138.72 110.97 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 16' ' ' VAL . 2.1 mm? -105.6 164.73 11.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' ' CH2' ' A' ' 22' ' ' TRP . 9.2 tt0 -145.48 136.66 24.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.875 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -95.36 -174.61 3.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.053 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.93 -29.26 14.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -150.56 167.1 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 89' ' ' MET . 72.2 m -49.97 -45.34 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.54 -56.39 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.875 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 8.9 tt0 -46.2 -56.14 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.1 ptm -58.67 -32.58 69.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.487 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -71.47 -25.22 75.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -81.28 -30.99 33.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.604 ' CE3' HD23 ' A' ' 95' ' ' LEU . 51.5 m95 -83.54 -39.79 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 93' ' ' LEU . 12.2 mt -45.53 -61.59 1.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.12 81.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD23 ' CE3' ' A' ' 92' ' ' TRP . 3.7 tp -62.05 -43.14 99.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.751 ' CB ' HG21 ' A' ' 57' ' ' VAL . 13.9 mt -80.07 -52.33 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -41.04 -55.72 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.8 t -50.87 -45.17 59.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.91 -57.63 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 m -55.84 166.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.37 84.34 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 m -104.76 136.37 44.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.51 -73.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 80.31 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.0 p -167.9 118.87 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.9 t -71.97 121.91 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -58.81 -61.96 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -125.63 80.7 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.48 96.04 0.76 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -130.91 152.44 50.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -159.3 114.06 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.39 127.96 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -169.44 107.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' THR . 60.8 tt0 -106.09 92.17 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' GLU . 72.4 p 36.01 35.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.1 m -144.91 126.42 15.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.35 134.9 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.0 p90 -62.45 103.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.935 HD11 ' CE2' ' A' ' 92' ' ' TRP . 46.7 mt -100.6 160.99 13.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -91.81 108.63 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 81' ' ' LEU . 6.5 t -93.5 118.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 22' ' ' TRP . 17.0 tp -60.92 139.59 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.9 t -150.8 107.69 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 57.37 48.45 14.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m 60.6 33.93 20.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -144.44 123.14 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.509 ' CE2' HD13 ' A' ' 17' ' ' LEU . 99.4 m95 -80.21 110.38 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -110.64 156.29 21.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.8 p -78.55 128.71 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' NE ' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.24 152.91 32.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.541 ' CE3' ' HB3' ' A' ' 13' ' ' TYR . 18.6 t-105 -97.93 121.59 40.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.6 m -111.89 139.8 47.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.25 135.76 24.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -121.17 123.39 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -129.72 -71.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 11.0 t0 -93.83 78.29 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' ASP . 34.0 m120 34.23 34.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.3 m80 -145.54 136.08 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 34' ' ' LEU . 1.5 tp -95.23 109.59 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 34' ' ' LEU . 77.7 m-70 -88.68 159.46 17.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 45' ' ' VAL . 28.6 m-85 -124.19 125.91 45.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 22.7 m-85 -131.98 170.06 15.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -116.03 74.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 74.56 55.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.12 43.5 6.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -112.64 48.12 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.3 mtp180 -38.52 -40.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -54.05 -44.12 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' VAL . 6.1 mmmm -105.39 50.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 42' ' ' ARG . 50.3 t -36.46 116.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.536 ' CB ' ' NE ' ' A' ' 25' ' ' ARG . . . -40.17 -47.13 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' GLN . 8.5 pt20 -174.67 161.62 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.1 tt0 -35.59 140.99 0.32 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 48' ' ' GLN . 54.0 Cg_endo -69.75 -172.48 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 79' ' ' ALA . 14.5 mt -126.89 141.41 51.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.1 p -102.25 87.16 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -51.76 -30.89 24.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG13 ' HB3' ' A' ' 102' ' ' SER . 82.0 t -50.56 101.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.31 -33.33 5.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.529 ' HB3' HG22 ' A' ' 71' ' ' ILE . 7.9 m -71.41 -178.28 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' LEU . 26.6 tt0 -146.02 124.99 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.898 HG21 ' CB ' ' A' ' 96' ' ' LEU . 96.2 t -88.47 117.73 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -122.59 135.65 25.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 111.078 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -106.9 75.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.5 Cg_endo -69.7 160.6 49.1 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.387 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -113.2 166.27 11.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 54.3 Cg_endo -69.74 1.89 4.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.279 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 18.7 m-20 -124.64 -22.17 4.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 30.6 m170 -147.55 105.01 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.27 23.27 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 2.2 m-85 -125.41 39.77 3.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.2 p -123.35 135.16 54.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -128.51 159.73 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.812 ' NE ' HD21 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -138.92 156.88 46.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 55' ' ' CYS . 1.9 mt -108.04 150.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.812 HD21 ' NE ' ' A' ' 70' ' ' ARG . 4.5 mt -141.99 147.07 36.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 78' ' ' LEU . 50.8 t-80 -126.38 92.07 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp 74.95 31.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.8 -7.01 73.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -95.24 152.36 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' HA ' HD23 ' A' ' 72' ' ' LEU . 42.1 tt0 -84.8 127.13 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -106.2 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -162.09 176.12 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 27.0 tttt -152.7 123.19 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.675 HD12 HG22 ' A' ' 16' ' ' VAL . 1.7 mm? -120.81 165.93 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -141.45 130.38 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.821 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -85.68 -174.76 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 85' ' ' SER . 3.7 ptpp? -98.22 -28.19 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 41.8 t -145.93 174.03 11.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.526 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.9 p -62.92 -36.8 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.77 -44.35 77.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 1.2 tp10 -57.42 -51.4 69.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.3 ptm -57.06 -31.4 65.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.476 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -72.86 -24.29 76.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -82.23 -25.01 34.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.763 0.316 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.935 ' CE2' HD11 ' A' ' 14' ' ' LEU . 71.2 m95 -87.7 -42.27 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.8 mt -45.61 -60.28 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.08 -35.19 77.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.24 -41.45 84.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.898 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.7 mt -78.96 -40.23 32.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.69 -58.08 8.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.2 t -47.16 -43.2 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -68.22 -46.95 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.3 p -75.48 57.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' SER . . . -124.33 -45.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.665 ' HB3' HG13 ' A' ' 53' ' ' VAL . 28.8 t -37.76 100.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.87 121.43 26.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -42.59 3.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.0 t -124.27 153.17 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -39.39 -42.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -73.52 173.98 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.49 154.43 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.8 94.77 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 t -151.03 109.28 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -80.71 130.31 35.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.5 97.87 1.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tt -156.38 123.08 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' THR . 9.3 mm-40 -100.53 172.43 7.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' GLU . 21.2 p -34.54 -56.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -69.43 127.47 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -144.03 164.14 31.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -72.69 109.21 6.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 mt -123.99 160.91 26.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.42 113.27 26.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.889 HG22 HD12 ' A' ' 81' ' ' LEU . 60.3 t -96.19 125.25 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD12 ' C ' ' A' ' 21' ' ' GLN . 12.5 tp -84.52 122.35 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG12 ' OD1' ' A' ' 19' ' ' ASN . 87.3 t -118.64 -77.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.681 ' OD1' HG12 ' A' ' 18' ' ' VAL . 16.4 m-20 -98.23 78.15 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t 44.03 25.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.512 ' C ' HD12 ' A' ' 17' ' ' LEU . 35.9 mt-30 -149.17 144.08 26.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 83.5 m95 -82.07 121.0 26.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -109.99 124.24 51.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.6 p -72.25 127.74 33.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HD2' ' C ' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -152.39 153.12 32.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 37' ' ' TYR . 2.9 t-105 -76.86 124.38 27.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CH2' ' A' ' 92' ' ' TRP . 5.8 t -93.45 147.18 23.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -154.54 111.64 3.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -102.5 136.52 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.3 ttm-85 -170.87 139.88 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.5 36.96 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 53' ' ' VAL . 30.0 m120 58.91 44.62 16.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.3 m80 -153.67 138.35 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.8 tp -95.26 106.13 18.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 78.1 m-70 -86.88 148.64 25.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 29.6 m-85 -109.3 133.08 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 90.4 m-85 -144.61 169.21 18.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -124.74 -54.94 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.08 178.55 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -80.6 -41.19 24.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ARG . 45.3 t30 -92.28 40.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HG2' ' CD1' ' A' ' 37' ' ' TYR . 13.2 mtp-105 38.28 44.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -65.19 -62.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -109.62 104.67 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 46' ' ' ALA . 91.6 t -64.21 100.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 36' ' ' PHE . . . -34.15 -53.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -47.67 151.86 1.41 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.44 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.7 Cg_endo -69.71 174.2 9.81 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.636 2.224 . . . . 0.0 112.384 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 50' ' ' LEU . 11.5 mt -121.67 136.78 54.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.568 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 92.2 p -91.95 80.34 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.46 -29.21 15.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 60.4 t -60.37 94.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 73' ' ' HIS . . . 117.02 4.93 15.83 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 3.4 m -105.69 -176.37 3.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -146.98 119.17 8.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.784 HG21 ' CB ' ' A' ' 96' ' ' LEU . 57.3 t -88.35 120.36 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.12 134.95 25.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.694 0.759 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.78 91.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.63 76.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.8 Cg_endo -69.72 172.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -133.3 167.55 22.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 110.866 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.3 Cg_endo -69.8 5.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.441 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 75.4 m-20 -125.79 -12.39 6.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 25.3 m-70 -166.14 107.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' HA ' ' CB ' ' A' ' 61' ' ' PRO . 5.0 mt -84.26 33.43 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.457 ' C ' ' OE2' ' A' ' 82' ' ' GLU . 1.5 m-85 -131.14 24.93 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.456 ' HB2' ' CD ' ' A' ' 82' ' ' GLU . 1.5 t -99.47 138.31 36.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 26.5 p90 -140.02 143.16 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -128.75 155.03 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -104.57 148.41 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 6.7 mt -132.97 144.43 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.814 ' HB2' HD11 ' A' ' 78' ' ' LEU . 52.7 t-80 -121.85 86.49 2.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG3' ' ND1' ' A' ' 73' ' ' HIS . 3.5 mtmp? 75.02 30.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.76 -2.57 62.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 17.6 mm-40 -100.26 150.69 22.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.26 130.44 34.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.814 HD11 ' HB2' ' A' ' 73' ' ' HIS . 12.2 mt -108.5 -47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.06 174.38 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 25.6 tttt -144.08 123.4 13.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.889 HD12 HG22 ' A' ' 16' ' ' VAL . 1.4 mm? -119.5 155.65 31.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.9 tp10 -141.07 133.15 27.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 -174.57 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.2 -35.2 10.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 t -135.13 147.23 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 51.3 p -49.83 -32.93 15.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.74 -31.14 71.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -75.57 -49.27 19.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -64.15 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.57 -24.54 73.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -83.22 -30.37 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.834 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.618 ' CE3' HD23 ' A' ' 95' ' ' LEU . 83.0 m95 -81.35 -33.57 32.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 93' ' ' LEU . 11.7 mt -50.41 -58.35 5.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.95 -33.88 62.38 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.464 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tp -60.05 -40.87 90.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.922 0.391 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.784 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -77.57 -37.51 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.7 -49.32 77.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.9 p -53.65 -47.81 70.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -67.32 -43.27 82.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 102' ' ' SER . 81.1 p -74.75 126.76 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.28 74.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' SER . 3.4 m -52.61 156.88 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.822 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -152.85 67.22 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' SER . 54.0 Cg_endo -69.72 -15.73 37.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' PRO . 53.1 p -37.58 133.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 t -42.3 142.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -144.8 125.15 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -46.58 150.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 163.91 15.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -42.01 149.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -66.56 169.9 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.08 104.7 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 tp -112.53 89.56 3.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -115.99 124.72 51.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.577 HG22 HD11 ' A' ' 95' ' ' LEU . 22.7 p 38.36 37.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 t -152.15 109.93 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -165.06 143.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' HH ' ' HZ3' ' A' ' 26' ' ' TRP . 99.1 m-85 -66.65 103.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 92' ' ' TRP . 18.8 mt -104.7 158.01 16.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -98.27 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.767 HG22 HD12 ' A' ' 81' ' ' LEU . 25.7 t -96.72 111.61 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.73 130.27 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 16' ' ' VAL . 95.8 t -138.92 117.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 50.6 47.38 24.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t 60.86 38.83 17.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -150.41 123.7 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 82' ' ' GLU . 95.2 m95 -77.65 111.1 13.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -118.02 145.45 44.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -64.26 120.29 11.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.596 ' HB3' HG23 ' A' ' 16' ' ' VAL . 9.8 tpp180 -137.1 154.79 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.433 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.1 t90 -106.07 105.4 15.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 34' ' ' LEU . 64.3 m -87.94 138.18 31.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -139.98 118.98 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -109.55 143.3 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -110.8 -70.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.66 -70.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -132.21 38.3 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.79 146.4 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 27' ' ' CYS . 3.3 tp -113.46 106.22 14.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -87.44 159.0 18.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -128.1 137.7 52.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CD2' ' HB3' ' A' ' 42' ' ' ARG . 60.6 m-85 -137.64 159.74 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -114.84 -53.74 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.07 173.73 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 24.2 mtm105 -76.43 -49.25 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' ARG . 11.5 m120 -84.18 36.86 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 53.3 mtm-85 34.38 44.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.7 p -77.73 -46.82 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -102.88 116.25 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.0 t -78.41 103.37 5.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' VAL . . . -35.61 -55.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -162.94 169.98 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -46.74 150.64 1.22 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.953 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 163.57 37.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -107.75 155.29 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.1 m -114.74 87.32 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.14 -38.87 74.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 53' ' ' VAL . 5.4 p -45.98 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.58 -34.85 5.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 78' ' ' LEU . 3.2 m -74.16 174.91 8.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 72' ' ' LEU . 37.6 tt0 -138.98 121.83 16.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 96' ' ' LEU . 41.6 t -88.07 120.38 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG21 HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -122.44 135.68 25.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 111.167 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HB3' HD11 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.72 89.56 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.24 . . . . 0.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.98 72.2 0.26 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' CD ' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.78 167.71 23.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.717 2.278 . . . . 0.0 112.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.476 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -121.83 166.64 15.99 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.651 0.739 . . . . 0.0 110.829 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 53.6 Cg_endo -69.8 7.29 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 1.8 m-20 -126.69 -19.89 4.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 6.2 m-70 -153.24 105.05 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.3 35.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.59 ' CD1' ' N ' ' A' ' 86' ' ' SER . 1.7 m-85 -134.57 24.5 3.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.438 ' HB3' ' CD ' ' A' ' 82' ' ' GLU . 2.6 p -109.68 137.05 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 2.2 p90 -132.13 160.43 36.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' HD21 ' A' ' 72' ' ' LEU . 10.9 ptm180 -136.96 158.09 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 55' ' ' CYS . 3.6 mt -112.63 148.78 15.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 58' ' ' VAL . 1.1 mt -141.03 139.65 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.9 t-80 -94.51 -71.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 42.0 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.63 3.28 55.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' O ' HD23 ' A' ' 72' ' ' LEU . 12.4 mt-10 -110.48 173.37 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 72' ' ' LEU . 39.7 tt0 -102.58 124.09 47.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 73' ' ' HIS . 43.2 mt -97.44 -47.24 5.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -156.81 168.32 27.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' C ' HD13 ' A' ' 81' ' ' LEU . 21.9 tttp -144.64 115.97 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -111.72 163.7 13.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 22' ' ' TRP . 1.5 tp10 -142.91 138.99 30.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 88' ' ' GLU . . . -101.97 -174.07 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -24.32 16.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.0 t -153.69 153.16 31.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.59 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 46.7 t -49.75 -30.76 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.72 -41.2 88.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.445 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 7.7 tp10 -68.06 -49.22 62.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.46 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 2.1 ppp? -63.41 -31.37 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -68.67 -23.8 75.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -85.81 -28.75 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.527 ' CE3' HD23 ' A' ' 95' ' ' LEU . 61.3 m95 -81.55 -32.1 32.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 59' ' ' PRO . 11.6 mt -52.57 -58.11 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.21 71.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.577 HD11 HG22 ' A' ' 10' ' ' THR . 4.1 tp -62.15 -45.33 93.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CB ' HG21 ' A' ' 57' ' ' VAL . 20.2 mt -76.89 -35.45 57.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.57 -56.08 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -46.14 -46.22 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 95' ' ' LEU . 3.0 mm-40 -70.28 -47.66 60.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -63.4 90.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.94 -48.63 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t 45.82 42.89 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.91 -162.42 38.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.2 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.6 m -129.51 173.53 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -156.15 140.95 17.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -166.99 125.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -102.14 158.54 16.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.65 140.96 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.535 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -81.71 81.14 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.356 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.1 p -114.69 174.29 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.43 128.79 7.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.7 tp -112.51 160.76 17.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 10' ' ' THR . 6.6 tp10 -129.08 152.36 48.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 64.9 p -45.41 -43.71 11.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.2 p -69.77 75.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 m -103.91 130.21 51.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -65.31 119.45 10.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.104 HD11 ' CE2' ' A' ' 92' ' ' TRP . 14.5 mt -122.2 173.76 7.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -89.93 107.49 19.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.819 HG22 HD12 ' A' ' 81' ' ' LEU . 96.5 t -97.41 109.61 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' ' 80' ' ' LYS . 9.2 tp -58.46 123.42 16.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -105.14 -79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -113.3 69.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t 63.55 25.0 14.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -151.5 144.99 24.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CH2' ' HG2' ' A' ' 80' ' ' LYS . 83.4 m95 -81.96 108.93 15.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -115.35 125.13 52.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.0 m -42.71 128.52 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 19.4 tpp85 -147.03 150.93 36.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 t90 -91.36 125.21 36.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.4 m -122.36 126.14 47.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -129.8 130.89 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -118.47 125.32 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -132.26 -72.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 32' ' ' ASN . 26.1 t0 -94.85 81.58 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 31' ' ' ASP . 35.5 m120 32.54 39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 30.9 m80 -147.44 136.32 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HG ' ' CE1' ' A' ' 36' ' ' PHE . 5.1 tp -99.51 105.91 17.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 81.9 m-70 -87.32 157.5 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE1' ' HG ' ' A' ' 34' ' ' LEU . 15.1 m-85 -125.07 136.51 53.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 28.6 m-85 -138.75 170.04 16.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 39' ' ' ASP . 43.7 mt-30 -117.8 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -163.47 -175.02 4.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 0.1 OUTLIER 63.99 54.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 46.94 48.28 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HD3' ' CE2' ' A' ' 37' ' ' TYR . 90.2 mtt180 59.72 54.24 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 40' ' ' ARG . 3.9 m -97.2 -48.37 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -93.57 76.85 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -48.82 113.98 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 25' ' ' ARG . . . -55.5 -47.88 75.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -162.44 167.91 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -52.82 159.89 1.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 52.8 Cg_endo -69.83 168.2 22.35 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 79' ' ' ALA . 12.3 mt -111.15 137.81 48.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 90.1 p -101.1 78.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 70.3 mt -48.65 -42.92 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.5 t -45.23 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.21 -38.02 3.27 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.561 ' HB3' HG22 ' A' ' 71' ' ' ILE . 10.6 m -71.18 -177.74 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' LEU . 38.3 tp10 -146.74 130.99 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.922 HG21 ' CB ' ' A' ' 96' ' ' LEU . 32.6 t -95.4 119.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -121.46 136.59 26.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.573 0.701 . . . . 0.0 111.114 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 53.5 Cg_endo -69.8 91.66 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.304 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -106.83 76.87 0.46 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 54.0 Cg_endo -69.77 179.89 3.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -141.89 167.41 16.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.885 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.4 Cg_endo -69.73 4.28 2.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.328 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -124.62 -15.31 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -162.64 107.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.53 24.08 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HA ' ' SD ' ' A' ' 89' ' ' MET . 1.0 OUTLIER -126.6 43.92 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.0 t -119.95 133.96 55.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 30.0 p90 -134.39 142.66 47.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -123.66 162.09 23.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.561 HG22 ' HB3' ' A' ' 55' ' ' CYS . 4.4 mt -111.07 147.24 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.554 HD11 HG21 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -143.28 142.73 31.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 5.9 t-80 -102.77 -67.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.574 ' HD3' ' CE1' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -120.58 39.79 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.55 -5.33 56.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.8 mt-10 -100.64 174.36 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 72' ' ' LEU . 56.1 tt0 -113.37 115.83 28.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD12 ' SG ' ' A' ' 55' ' ' CYS . 55.3 mt -88.19 -50.26 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 50' ' ' LEU . . . -139.24 168.45 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 21.0 tttp -147.85 112.84 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -113.15 162.77 15.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 4.7 tt0 -146.59 124.51 11.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.609 ' HB1' ' HG2' ' A' ' 88' ' ' GLU . . . -81.73 -174.42 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.86 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.3 m -150.56 163.4 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 89' ' ' MET . 1.6 m -59.3 -40.15 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.55 -45.58 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.609 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 6.9 tp10 -55.69 -54.43 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.503 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 10.9 ptm -57.85 -36.12 71.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.503 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -62.42 -32.02 81.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -76.7 -31.78 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 1.104 ' CE2' HD11 ' A' ' 14' ' ' LEU . 65.3 m95 -78.84 -50.1 11.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 93' ' ' LEU . 15.7 mt -39.1 -61.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.77 90.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD23 ' CE3' ' A' ' 92' ' ' TRP . 4.4 tp -61.56 -58.07 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.922 ' CB ' HG21 ' A' ' 57' ' ' VAL . 11.5 mt -61.5 -42.09 98.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.05 -46.43 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -57.8 -40.68 80.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.45 -50.15 34.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.7 p -70.3 117.35 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.32 95.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.0 p -90.42 152.02 21.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.36 122.25 29.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.262 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.4 p -149.09 132.25 16.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.4 m -125.85 175.85 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -149.72 170.85 17.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -100.17 115.48 29.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.5 -104.37 2.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t 54.08 41.2 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 t -115.06 145.42 42.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 151.85 -40.6 0.75 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -34.33 122.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -58.76 173.32 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -48.62 -46.9 40.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.7 p -48.32 95.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.0 m -146.22 159.16 43.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CZ ' ' CE3' ' A' ' 26' ' ' TRP . 5.8 m-85 -80.62 104.12 10.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CE2' ' A' ' 92' ' ' TRP . 51.9 mt -104.35 163.31 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -104.53 108.68 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.93 HG22 HD12 ' A' ' 81' ' ' LEU . 62.7 t -94.47 113.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.51 121.38 13.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.11 -78.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLN . 87.8 m-20 -92.69 79.61 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 m 39.36 26.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' ASN . 46.9 mt-30 -151.62 161.82 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 82' ' ' GLU . 83.7 m95 -92.05 114.39 26.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -99.67 158.16 15.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.3 p -84.99 102.94 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 26' ' ' TRP . 9.3 tpp180 -124.9 149.55 47.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.576 ' CE3' ' CZ ' ' A' ' 13' ' ' TYR . 2.7 t90 -97.71 101.32 12.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.4 m -89.41 141.2 28.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -145.22 124.5 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -110.78 131.54 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -127.33 -75.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 32' ' ' ASN . 1.1 t70 -104.47 89.94 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' ND2' ' OE1' ' A' ' 99' ' ' GLU . 19.8 m120 32.98 38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 51' ' ' SER . 32.7 m80 -147.44 132.68 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.6 tp -96.96 106.83 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' HB3' ' A' ' 49' ' ' PRO . 52.7 m-70 -87.74 165.31 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' O ' HG13 ' A' ' 45' ' ' VAL . 11.2 m-85 -127.37 131.13 50.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 88.1 m-85 -132.98 167.35 20.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -113.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -104.85 154.4 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -51.82 -34.18 39.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' N ' ' HG2' ' A' ' 40' ' ' ARG . 72.6 m-20 -56.21 -29.28 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HD3' ' CD1' ' A' ' 37' ' ' TYR . 26.1 mtt180 58.2 41.02 24.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 m -96.81 -40.92 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -101.55 78.18 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 36' ' ' PHE . 96.3 t -46.56 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.25 -48.26 12.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -165.22 166.41 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -47.54 151.02 1.53 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' ND1' ' A' ' 35' ' ' HIS . 53.4 Cg_endo -69.77 175.92 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 50' ' ' LEU . 10.8 mt -116.42 140.47 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 95.8 p -93.61 76.41 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 mt -49.83 -34.67 20.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 32' ' ' ASN . 86.8 t -56.6 96.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.38 4.46 12.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.471 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 m -109.02 -176.21 2.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -143.83 124.97 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 96' ' ' LEU . 84.1 t -94.08 122.56 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -126.19 135.29 26.93 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.654 0.74 . . . . 0.0 111.099 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 54.3 Cg_endo -69.7 92.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -107.12 76.3 0.47 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 59' ' ' PRO . 53.5 Cg_endo -69.79 173.85 10.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -135.62 167.3 22.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 62' ' ' SER . 53.5 Cg_endo -69.79 -0.26 6.67 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 62.6 m-20 -120.53 -10.3 9.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 64' ' ' ASP . 23.7 m-70 -168.93 106.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.77 21.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 86' ' ' SER . 1.7 m-85 -123.6 46.0 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 15.4 p -128.0 130.4 48.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CE2' ' HB2' ' A' ' 81' ' ' LEU . 7.0 p90 -125.78 162.3 25.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -142.88 150.68 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.1 mt -101.01 150.47 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' HG21 ' A' ' 58' ' ' VAL . 6.9 mt -137.64 145.76 43.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.766 ' HB2' HD21 ' A' ' 78' ' ' LEU . 49.1 t-80 -118.08 79.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mttt 74.93 37.5 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 95.81 -7.55 67.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 72' ' ' LEU . 14.1 mt-10 -96.7 149.83 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -88.14 131.49 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 73' ' ' HIS . 3.8 mt -112.68 -47.54 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.29 175.95 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HG2' ' CH2' ' A' ' 22' ' ' TRP . 35.3 tttt -150.71 121.06 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.93 HD12 HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -115.68 160.06 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 22' ' ' TRP . 3.8 tt0 -137.67 129.75 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' HB1' ' CG ' ' A' ' 88' ' ' GLU . . . -85.98 -174.67 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -101.48 -35.68 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.9 t -137.47 153.4 50.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 67' ' ' TYR . 89.6 p -46.59 -42.83 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.84 -40.17 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.612 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 6.3 tp10 -60.47 -53.66 54.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 90' ' ' GLY . 7.7 ptm -57.19 -32.09 66.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 89' ' ' MET . . . -66.85 -28.0 73.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.09 -27.91 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.924 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.4 m95 -82.43 -40.29 21.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.08 -63.93 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.92 -35.06 90.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.03 -42.31 94.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.8 ' CB ' HG21 ' A' ' 57' ' ' VAL . 31.9 mt -74.9 -47.01 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.99 -47.74 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -56.83 -45.89 82.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' OE1' ' ND2' ' A' ' 32' ' ' ASN . 65.0 mm-40 -64.14 -48.39 76.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p -72.82 91.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.93 117.78 2.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -109.68 83.11 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -161.66 -144.05 3.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.07 64.3 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 t -84.09 117.31 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.8 m -57.84 -44.83 86.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.982 . . . . . . . . 0 0 . 1 stop_ save_